On the public citation graph
Spin-density gradient expansion for the kinetic energy
0 signed · 262 inferred · view as graph
Inferred edges come from two machine sources: sweeps of open repository metadata (mostly SSRN and Zenodo), and a bulk OpenAlex citation snapshot. Every row below is labelled with the one it came from. Neither is a complete citation index — absence here is not evidence of absence.
Is this your work? Sign in with ORCID and put your name on the
claims that are yours.
Reference health. See whether every reference in this work resolves to a
known work and none has been retracted — and get a dated CiteStamped
badge you can embed.
What this work says
Outgoing claims: the papers this work cites, builds on, or argues with.
inferredcites →https://doi.org/10.1016/0003-4916(71)90283-1openalex-snapshot
Density-functional theory of magnetic instabilities in metals
inferredcites →https://doi.org/10.1016/0009-2614(76)80588-xopenalex-snapshot
Gradient expansion of the atomic kinetic energy functional
inferredcites →https://doi.org/10.1016/0009-2614(78)80421-7openalex-snapshot
Gradient corrections in the energy density functional
inferredcites →https://doi.org/10.1016/0038-1098(75)90583-9openalex-snapshot
Self-consistent Hartree-Fock calculation of exchange effects in a weakly inhomogeneous electron gas
inferredcites →https://doi.org/10.1016/0038-1098(77)90591-9openalex-snapshot
A non-local approximation to the exchange energy of the non-homogeneous electron gas
inferredcites →https://doi.org/10.1016/0038-1098(77)91185-1openalex-snapshot
Exchange and correlation in inhomogeneous electron systems
inferredcites →https://doi.org/10.1016/0375-9601(74)90938-4openalex-snapshot
On the surface energy of a bounded electron gas
inferredcites →https://doi.org/10.1017/s0305004100011683openalex-snapshot
The calculation of atomic fields
inferredcites →https://doi.org/10.1088/0022-3719/5/13/012openalex-snapshot
A local exchange-correlation potential for the spin polarized case. i
inferredcites →https://doi.org/10.1088/0305-4608/4/8/013openalex-snapshot
The surface energy of a bounded electron gas
inferredcites →https://doi.org/10.1103/physrev.105.604openalex-snapshot
Statistical Theory of Many-Electron Systems. General Considerations Pertaining to the Thomas-Fermi Theory
inferredcites →https://doi.org/10.1103/physrev.140.a1133openalex-snapshot
Self-Consistent Equations Including Exchange and Correlation Effects
inferredcites →https://doi.org/10.1103/physreva.16.891openalex-snapshot
Statistical atomic models with piecewise exponentially decaying electron densities
inferredcites →https://doi.org/10.1103/physrevb.10.1319openalex-snapshot
Contribution to the cohesive energy of simple metals: Spin-dependent effect
inferredcites →https://doi.org/10.1103/physrevb.13.4274openalex-snapshot
Exchange and correlation in atoms, molecules, and solids by the spin-density-functional formalism
inferredcites →https://doi.org/10.1103/physrevb.14.2017openalex-snapshot
Surface of a spin-polarized electron gas
inferredcites →https://doi.org/10.1103/physrevb.16.4249openalex-snapshot
Study of the density gradient expansion for the kinetic energy
inferredcites →https://doi.org/10.1103/physrevb.17.3735openalex-snapshot
Nonlocal approximation to the exchange potential and kinetic energy of an inhomogeneous electron gas
inferredcites →https://doi.org/10.1103/physrevb.19.1290openalex-snapshot
Statistical calculation of jellium surface properties
inferredcites →https://doi.org/10.1119/1.1973823openalex-snapshot
Field Theoretical Methods in Many-Body Systems
inferredcites →https://doi.org/10.1139/p73-189openalex-snapshot
Quantum Corrections to the Thomas–Fermi Approximation—The Kirzhnits Method
inferredcites →https://doi.org/10.1524/zpch.1970.71.4_6.334openalex-snapshot
Advances in Quantum Chemistry
What points at this work
Incoming claims: where this work appears in other papers’ reference lists and arguments.
inferred← citeshttps://doi.org/10.2139/ssrn.4670789openalex-extracted
Approximations for the Kinetic Energy Functionals
inferred← citeshttps://doi.org/10.1002/(sici)1097-461x(1997)61:5<835::aid-qua9>3.0.co;2-xopenalex-snapshot
Density-gradient analysis for density functional theory: Application to atoms
inferred← citeshttps://doi.org/10.1002/(sici)1097-461x(1997)65:3<241::aid-qua5>3.0.co;2-wopenalex-snapshot
Density functional theory for open-shell systems using a local-scaling transformation scheme. I. Single-density energy functional
inferred← citeshttps://doi.org/10.1002/adfm.202413491openalex-snapshot
Electron Spin Polarization in Rechargeable Batteries: Theoretical Foundation and Practical Applications
inferred← citeshttps://doi.org/10.1002/jcc.26732openalex-snapshot
MCML : Combining physical constraints with experimental data for a multi‐purpose meta‐generalized gradient approximation
inferred← citeshttps://doi.org/10.1002/pssb.2221020126openalex-snapshot
Charge and Spin Density Waves in Jellium
inferred← citeshttps://doi.org/10.1002/qua.22571openalex-snapshot
Assessing the performances of some recently proposed density functionals for the description of bond dissociations involving organic radicals
inferred← citeshttps://doi.org/10.1002/qua.22829openalex-snapshot
Fourteen easy lessons in density functional theory
inferred← citeshttps://doi.org/10.1002/qua.25224openalex-snapshot
Kinetic‐energy‐density dependent semilocal exchange‐correlation functionals
inferred← citeshttps://doi.org/10.1002/wcms.1175openalex-snapshot
Subsystem density‐functional theory
inferred← citeshttps://doi.org/10.1007/3-540-37072-2_1openalex-snapshot
Density Functionals for Non-relativistic Coulomb Systems in the New Century
inferred← citeshttps://doi.org/10.1007/978-0-387-49586-6_8openalex-snapshot
Density-Functional Theory in External Electric and Magnetic Fields
inferred← citeshttps://doi.org/10.1007/978-1-4757-0818-9_4openalex-snapshot
Density Functional Approach to Time-Dependent and to Relativistic Systems
inferred← citeshttps://doi.org/10.1007/978-1-4757-9975-0_4openalex-snapshot
Density Gradient Expansion of the Electronic Exchange-Correlation Energy, and its Generalization
inferred← citeshttps://doi.org/10.1007/978-1-4899-0316-7_7openalex-snapshot
Derivation of a Generalized Gradient Approximation: The PW91 Density Functional
inferred← citeshttps://doi.org/10.1007/978-1-4899-2142-0_11openalex-snapshot
Some Approaches to Density Functional Theory
inferred← citeshttps://doi.org/10.1007/978-3-031-22340-2_1openalex-snapshot
Review of Approximations for the Exchange-Correlation Energy in Density-Functional Theory
inferred← citeshttps://doi.org/10.1007/978-3-031-37196-7_4openalex-snapshot
Development of Exchange-Correlation Functionals Assisted by Machine Learning
inferred← citeshttps://doi.org/10.1007/978-3-540-32646-5_1openalex-snapshot
Chemical and Catalytic Properties of Size-Selected Free and Supported Clusters
inferred← citeshttps://doi.org/10.1007/978-3-642-20180-6_7openalex-snapshot
Density Functional Theory
inferred← citeshttps://doi.org/10.1007/978-3-642-23238-1_1openalex-snapshot
An Introduction to Linear-Scaling Ab Initio Calculations
inferred← citeshttps://doi.org/10.1007/978-3-642-40421-4_1openalex-snapshot
An Overview of Modern Density Functional Theory
inferred← citeshttps://doi.org/10.1007/978-3-642-40766-6_18openalex-snapshot
Relativistic Density Functional Theory
inferred← citeshttps://doi.org/10.1007/978-3-642-41611-8_18-1openalex-snapshot
Relativistic Density Functional Theory
inferred← citeshttps://doi.org/10.1007/bf00808551openalex-snapshot
Calculation of the van der Waals atom-atom interactions on the basis of a hydrogen-like approximation of the electron density of the outer shell and the dipole polarizability of the atom
inferred← citeshttps://doi.org/10.1007/bf02726989openalex-snapshot
Fourth-order gradient expansion of the fermion kinetic energy: Extra terms for nonanalytic densities
inferred← citeshttps://doi.org/10.1007/bfb0086753openalex-snapshot
Recent rigorous results in Thomas-Fermi theory
inferred← citeshttps://doi.org/10.1007/bfb0106732openalex-snapshot
Density functionals for non-relativistic coulomb systems
inferred← citeshttps://doi.org/10.1007/bfb0106736openalex-snapshot
Relativistic density functional theory
inferred← citeshttps://doi.org/10.1007/s00214-007-0347-xopenalex-snapshot
Reparameterization of a meta-generalized gradient approximation functional by combining TPSS exchange with τ1 correlation
inferred← citeshttps://doi.org/10.1007/s00214-018-2395-9openalex-snapshot
A fragment-based approximation of the Pauli kinetic energy
inferred← citeshttps://doi.org/10.1007/s00332-022-09845-2openalex-snapshot
Symmetry Breaking and the Generation of Spin Ordered Magnetic States in Density Functional Theory Due to Dirac Exchange for a Hydrogen Molecule
inferred← citeshttps://doi.org/10.1007/s10853-024-09868-yopenalex-snapshot
Investigation of Al/CeO2 interfacial relationships for epitaxial growth of Al on CeO2 substrates: first-principles calculation
inferred← citeshttps://doi.org/10.1007/s11433-014-5639-2openalex-snapshot
Total energy equation leading to exchange-correlation functional
inferred← citeshttps://doi.org/10.1007/s12274-024-6693-3openalex-snapshot
Work-function effect of Ti3C2/Fe-N-C inducing solid electrolyte interphase evolution for ultra-stable sodium storage
inferred← citeshttps://doi.org/10.1016/0166-1280(92)87037-zopenalex-snapshot
Correlation forces in electron scattering from atoms and molecules: a density functional approach
inferred← citeshttps://doi.org/10.1016/0370-1573(82)90134-xopenalex-snapshot
Densities, density-functionals and electron fluids
inferred← citeshttps://doi.org/10.1016/0375-9601(92)91058-yopenalex-snapshot
Generalized gradient approximation for the fermion kinetic energy as a functional of the density
inferred← citeshttps://doi.org/10.1016/b978-0-12-813651-5.00004-8openalex-snapshot
Density functional theory
inferred← citeshttps://doi.org/10.1016/b978-044451719-7/50067-6openalex-snapshot
Progress in the development of exchange-correlation functionals
inferred← citeshttps://doi.org/10.1016/j.chemphys.2006.06.041openalex-snapshot
Avoiding self-repulsion in density functional description of biased molecular junctions
inferred← citeshttps://doi.org/10.1016/j.chemphys.2006.08.017openalex-snapshot
Faster approximate force calculations via quasi-spin density exchange-correlation functionals
inferred← citeshttps://doi.org/10.1016/j.commt.2024.100002openalex-snapshot
Partially deorbitalized meta-GGA
inferred← citeshttps://doi.org/10.1016/j.jallcom.2024.178154openalex-snapshot
Investigation of microstructure and electrochemical corrosion tendency of the Al/CeO2 interface in the 7075-CeO2 aluminum matrix composites: experiments and calculations
inferred← citeshttps://doi.org/10.1016/j.surfrep.2006.03.002openalex-snapshot
Adhesion at metal–ZrO2 interfaces
inferred← citeshttps://doi.org/10.1016/s0009-2614(02)00852-7openalex-snapshot
Introduction of the explicit long-range nonlocality as an alternative to the gradient expansion approximation for the kinetic-energy functional
inferred← citeshttps://doi.org/10.1016/s0166-1280(99)00429-7openalex-snapshot
Exchange-correlation energy of the non-uniformly scaled hydrogen atom
inferred← citeshttps://doi.org/10.1016/s0927-0256(97)00206-1openalex-snapshot
Density functionals from LDA to GGA
inferred← citeshttps://doi.org/10.1016/s1380-7323(96)80088-4openalex-snapshot
Density functional theory, the exchange hole, and the molecular bond
inferred← citeshttps://doi.org/10.1017/s0263034600004419openalex-snapshot
Average atom model and EOS calculations: DFT approach
inferred← citeshttps://doi.org/10.1021/acs.chemmater.9b02243openalex-snapshot
Recent Advances in Graphene-like 2D Materials for Spintronics Applications
inferred← citeshttps://doi.org/10.1021/acs.chemrev.2c00758openalex-snapshot
Orbital-Free Density Functional Theory: An Attractive Electronic Structure Method for Large-Scale First-Principles Simulations
inferred← citeshttps://doi.org/10.1021/acs.jctc.1c00904openalex-snapshot
CIDER: An Expressive, Nonlocal Feature Set for Machine Learning Density Functionals with Exact Constraints
inferred← citeshttps://doi.org/10.1021/acs.jctc.3c00600openalex-snapshot
Artificial Neural Network-Based Density Functional Approach for Adiabatic Energy Differences in Transition Metal Complexes
inferred← citeshttps://doi.org/10.1021/acs.jctc.6b00406openalex-snapshot
Employing Range Separation on the meta-GGA Rung: New Functional Suitable for Both Covalent and Noncovalent Interactions
inferred← citeshttps://doi.org/10.1021/acs.jctc.6b01050openalex-snapshot
Accurate Reference Data for the Nonadditive, Noninteracting Kinetic Energy in Covalent Bonds
inferred← citeshttps://doi.org/10.1021/acs.jctc.8b00072openalex-snapshot
Simple Modifications of the SCAN Meta-Generalized Gradient Approximation Functional
inferred← citeshttps://doi.org/10.1021/acs.jctc.9b01015openalex-snapshot
Self-Consistent Implementation of Hybrid Functionals with Local Range Separation
inferred← citeshttps://doi.org/10.1021/acs.jpca.4c02635openalex-snapshot
Reworking the Tao–Mo Exchange–Correlation Functional. III. Improved Deorbitalization Strategy and Faithful Deorbitalization
inferred← citeshttps://doi.org/10.1021/acs.jpca.4c02852openalex-snapshot
Chemically Accurate Singlet–Triplet Gaps of Arylcarbenes from Local Hybrid Density Functionals
inferred← citeshttps://doi.org/10.1021/acs.jpclett.0c02405openalex-snapshot
Accurate and Numerically Efficient r2SCAN Meta-Generalized Gradient Approximation
inferred← citeshttps://doi.org/10.1021/acs.jpclett.2c00643openalex-snapshot
Uniting Nonempirical and Empirical Density Functional Approximation Strategies Using Constraint-Based Regularization
inferred← citeshttps://doi.org/10.1021/acsomega.9b00303openalex-snapshot
Local Density Approximation for the Short-Range Exchange Free Energy Functional
inferred← citeshttps://doi.org/10.1021/cr500502vopenalex-snapshot
Frozen-Density Embedding Strategy for Multilevel Simulations of Electronic Structure
inferred← citeshttps://doi.org/10.1021/ct200382wopenalex-snapshot
Generalized Gradient Approximations of the Noninteracting Kinetic Energy from the Semiclassical Atom Theory: Rationalization of the Accuracy of the Frozen Density Embedding Theory for Nonbonded Interactions
inferred← citeshttps://doi.org/10.1021/ct200510sopenalex-snapshot
Two-Dimensional Scan of the Performance of Generalized Gradient Approximations with Perdew–Burke–Ernzerhof-Like Enhancement Factor
inferred← citeshttps://doi.org/10.1021/ct400129dopenalex-snapshot
Density Scaling of Noninteracting Kinetic Energy Functionals
inferred← citeshttps://doi.org/10.1021/ct400836sopenalex-snapshot
Laplacian-Level Kinetic Energy Approximations Based on the Fourth-Order Gradient Expansion: Global Assessment and Application to the Subsystem Formulation of Density Functional Theory
inferred← citeshttps://doi.org/10.1021/ct800246vopenalex-snapshot
Exploring the Limit of Accuracy of the Global Hybrid Meta Density Functional for Main-Group Thermochemistry, Kinetics, and Noncovalent Interactions
inferred← citeshttps://doi.org/10.1021/jz3021292openalex-snapshot
Understanding the Density Functional Dependence of DFT-Calculated Electronic Couplings in Organic Semiconductors
inferred← citeshttps://doi.org/10.1038/s41524-020-0310-0openalex-snapshot
Completing density functional theory by machine learning hidden messages from molecules
inferred← citeshttps://doi.org/10.1038/s41598-021-81707-5openalex-snapshot
Modelling quantum aspects of disruption of a white dwarf star by a black hole
inferred← citeshttps://doi.org/10.1039/c6cp08761bopenalex-snapshot
Performance of a nonempirical exchange functional from density matrix expansion: comparative study with different correlations
inferred← citeshttps://doi.org/10.1039/c7ra10241kopenalex-snapshot
Self-consistent determination of the fictitious temperature in thermally-assisted-occupation density functional theory
inferred← citeshttps://doi.org/10.1039/c9cp06376eopenalex-snapshot
Real-time ab initio simulation of inelastic electron scattering using the exact, density functional, and alternative approaches
inferred← citeshttps://doi.org/10.1039/d0fd00057dopenalex-snapshot
Deriving approximate functionals with asymptotics
inferred← citeshttps://doi.org/10.1039/d3dd00114hopenalex-snapshot
Incorporation of density scaling constraint in density functional design via contrastive representation learning
inferred← citeshttps://doi.org/10.1039/d3sc05828jopenalex-snapshot
Structure and dynamics of liquid water from ab initio simulations: adding Minnesota density functionals to Jacob's ladder
inferred← citeshttps://doi.org/10.1039/d5cp00866bopenalex-snapshot
Generalized quadratic model for charge transfer
inferred← citeshttps://doi.org/10.1039/d5cp00881fopenalex-snapshot
Excited-state methods based on state-averaged long-range CASSCF short-range DFT
inferred← citeshttps://doi.org/10.1063/1.1388047openalex-snapshot
Exchange energy density of an atom as a functional of the electron density
inferred← citeshttps://doi.org/10.1063/1.1535422openalex-snapshot
A direct optimization method for calculating density functionals and exchange–correlation potentials from electron densities
inferred← citeshttps://doi.org/10.1063/1.1604377openalex-snapshot
Properties of the exchange hole under an appropriate coordinate transformation
inferred← citeshttps://doi.org/10.1063/1.1665298openalex-snapshot
Meta-generalized gradient approximation: Explanation of a realistic nonempirical density functional
inferred← citeshttps://doi.org/10.1063/1.1768163openalex-snapshot
Conjugate-gradient optimization method for orbital-free density functional calculations
inferred← citeshttps://doi.org/10.1063/1.1904565openalex-snapshot
Prescription for the design and selection of density functional approximations: More constraint satisfaction with fewer fits
inferred← citeshttps://doi.org/10.1063/1.2176608openalex-snapshot
Scaling down the Perdew-Zunger self-interaction correction in many-electron regions
inferred← citeshttps://doi.org/10.1063/1.2912068openalex-snapshot
Construction of a generalized gradient approximation by restoring the density-gradient expansion and enforcing a tight Lieb–Oxford bound
inferred← citeshttps://doi.org/10.1063/1.2937447openalex-snapshot
Generalized-gradient exchange-correlation hole obtained from a correlation factor ansatz
inferred← citeshttps://doi.org/10.1063/1.2978377openalex-snapshot
Hybrid functionals with local range separation
inferred← citeshttps://doi.org/10.1063/1.3059783openalex-snapshot
Condition on the Kohn–Sham kinetic energy and modern parametrization of the Thomas–Fermi density
inferred← citeshttps://doi.org/10.1063/1.3684261openalex-snapshot
A generalized gradient approximation for exchange derived from the model potential of van Leeuwen and Baerends
inferred← citeshttps://doi.org/10.1063/1.3685604openalex-snapshot
Can orbital-free density functional theory simulate molecules?
inferred← citeshttps://doi.org/10.1063/1.3703894openalex-snapshot
Density functional theory with fractional orbital occupations
inferred← citeshttps://doi.org/10.1063/1.440244openalex-snapshot
Atomic electronegativity from density functional theory
inferred← citeshttps://doi.org/10.1063/1.448516openalex-snapshot
Local asymptotic gradient corrections to the energy functional of an electron gas
inferred← citeshttps://doi.org/10.1063/1.449919openalex-snapshot
Momentum space properties and local density approximations in small molecules: A critical appraisal
inferred← citeshttps://doi.org/10.1063/1.452834openalex-snapshot
Corrected effective medium method. I. One-body formulation with applications to atomic chemisorption and diatomic molecular potentials
inferred← citeshttps://doi.org/10.1063/1.454039openalex-snapshot
Corrected effective medium method. II. N-body formulation
inferred← citeshttps://doi.org/10.1063/1.475524openalex-snapshot
Nonlocality of the density functional for exchange and correlation: Physical origins and chemical consequences
inferred← citeshttps://doi.org/10.1063/1.4766324openalex-snapshot
Spin-dependent gradient correction for more accurate atomization energies of molecules
inferred← citeshttps://doi.org/10.1063/1.476928openalex-snapshot
Generalized gradient approximation to the angle- and system-averaged exchange hole
inferred← citeshttps://doi.org/10.1063/1.4788913openalex-snapshot
Optimized unrestricted Kohn–Sham potentials from ab initio spin densities
inferred← citeshttps://doi.org/10.1063/1.4867532openalex-snapshot
Thermally-assisted-occupation density functional theory with generalized-gradient approximations
inferred← citeshttps://doi.org/10.1063/1.4870763openalex-snapshot
Gedanken densities and exact constraints in density functional theory
inferred← citeshttps://doi.org/10.1063/1.4931628openalex-snapshot
Communication: A new class of non-empirical explicit density functionals on the third rung of Jacob’s ladder
inferred← citeshttps://doi.org/10.1063/1.4950845openalex-snapshot
Communication: Near-locality of exchange and correlation density functionals for 1- and 2-electron systems
inferred← citeshttps://doi.org/10.1063/1.4961300openalex-snapshot
Hartree potential dependent exchange functional
inferred← citeshttps://doi.org/10.1063/1.4967960openalex-snapshot
Self-consistent implementation of meta-GGA functionals for the ONETEP linear-scaling electronic structure package
inferred← citeshttps://doi.org/10.1063/1.4971853openalex-snapshot
Performance of a nonempirical density functional on molecules and hydrogen-bonded complexes
inferred← citeshttps://doi.org/10.1063/1.4974163openalex-snapshot
Role of exact exchange in thermally-assisted-occupation density functional theory: A proposal of new hybrid schemes
inferred← citeshttps://doi.org/10.1063/1.5038557openalex-snapshot
Locally coupled open subsystems: A formalism for affordable electronic structure calculations featuring fractional charges and size consistency
inferred← citeshttps://doi.org/10.1063/1.5048907openalex-snapshot
Orbital-free approximations to the kinetic-energy density in exchange-correlation MGGA functionals: Tests on solids
inferred← citeshttps://doi.org/10.1063/1.5121731openalex-snapshot
Exploring local range separation: The role of spin scaling and one-electron self-interaction
inferred← citeshttps://doi.org/10.1063/5.0073623openalex-snapshot
Construction of meta-GGA functionals through restoration of exact constraint adherence to regularized SCAN functionals
inferred← citeshttps://doi.org/10.1063/5.0077179openalex-snapshot
Two-component density functional theory for muonic molecules: Inclusion of the electron–positive muon correlation functional
inferred← citeshttps://doi.org/10.1063/5.0082957openalex-snapshot
Hybrid functionals with local range separation: Accurate atomization energies and reaction barrier heights
inferred← citeshttps://doi.org/10.1063/5.0111183openalex-snapshot
Exact constraints and appropriate norms in machine-learned exchange-correlation functionals
inferred← citeshttps://doi.org/10.1063/5.0150587openalex-snapshot
Construct exchange-correlation functional via machine learning
inferred← citeshttps://doi.org/10.1063/5.0166358openalex-snapshot
Derivation and reinterpretation of the Fermi–Amaldi functional
inferred← citeshttps://doi.org/10.1063/5.0172058openalex-snapshot
The difference between molecules and materials: Reassessing the role of exact conditions in density functional theory
inferred← citeshttps://doi.org/10.1063/5.0174592openalex-snapshot
Large-Z atoms in the strong-interaction limit of DFT: Implications for gradient expansions and for the Lieb–Oxford bound
inferred← citeshttps://doi.org/10.1063/5.0179606openalex-snapshot
My life in science: Lessons for yours?
inferred← citeshttps://doi.org/10.1063/5.0280814openalex-snapshot
Extension of the Fermi–Amaldi functional to fractional electron number
inferred← citeshttps://doi.org/10.1063/5.0320068openalex-snapshot
Spin localization in intermolecular complexes: A challenge for semi-local approximants for the embedding potential
inferred← citeshttps://doi.org/10.1073/pnas.1423145112openalex-snapshot
Semilocal density functional obeying a strongly tightened bound for exchange
inferred← citeshttps://doi.org/10.1080/00268976.2013.794313openalex-snapshot
Electronic excitations from a linear-response range-separated hybrid scheme
inferred← citeshttps://doi.org/10.1080/00268976.2015.1113314openalex-snapshot
Atomic decomposition of Kohn–Sham molecular energies: the kinetic energy component
inferred← citeshttps://doi.org/10.1080/08893119208032965openalex-snapshot
Electron Density Distribution in Crystals: Theory Problems and Experiment
inferred← citeshttps://doi.org/10.1080/08927029008022391openalex-snapshot
The Practical Calculation of Interionic Potentials in Solids using Electron Gas Theory
inferred← citeshttps://doi.org/10.1080/14786430601021660openalex-snapshot
Meta-generalized gradient approximation: non-empirical construction and performance of a density functional
inferred← citeshttps://doi.org/10.1088/0022-3719/16/4/014openalex-snapshot
Non-local approximations to the kinetic energy functional
inferred← citeshttps://doi.org/10.1088/0022-3719/18/21/011openalex-snapshot
Approximate kinetic energy functionals for atoms in extended systems
inferred← citeshttps://doi.org/10.1088/0305-4470/36/42/013openalex-snapshot
Exact inequality involving the kinetic energy functionalTs[ ] and pairs of electron densities
inferred← citeshttps://doi.org/10.1088/0953-4075/22/12/008openalex-snapshot
Extension of the Thomas-Fermi-Dirac-Weizsacker model: four-order gradient corrections to the kinetic energy
inferred← citeshttps://doi.org/10.1088/0953-8984/25/48/486002openalex-snapshot
Magnetic anisotropy of FeO and CoO: the influence of gradient corrections on exchange and correlation
inferred← citeshttps://doi.org/10.1088/1361-6455/aa95b1openalex-snapshot
Exchange-correlation energies of atoms from efficient density functionals: influence of the electron density
inferred← citeshttps://doi.org/10.1088/1361-6455/ac03c9openalex-snapshot
Collective effects in photoionization of sodium clusters: plasmon resonance spill, induced attractive force and correlation minimum
inferred← citeshttps://doi.org/10.1088/1367-2630/ab2ce3openalex-snapshot
Self-bound Bose–Fermi liquids in lower dimensions
inferred← citeshttps://doi.org/10.1088/1367-2630/abbcefopenalex-snapshot
Bistability of Bose–Fermi mixtures
inferred← citeshttps://doi.org/10.1088/2516-1075/ae9ae4openalex-snapshot
Assessing the suitability of the Thomas–Fermi– λ von Weizsäcker density functional for itinerant magnetism
inferred← citeshttps://doi.org/10.1103/67hn-5s46openalex-snapshot
Capturing exchange-correlation spin-torque effects with a semilocal functional
inferred← citeshttps://doi.org/10.1103/dkf7-jkb4openalex-snapshot
Tackling the one-electron self-interaction error within the semilocal density functional framework
inferred← citeshttps://doi.org/10.1103/klyz-bqqnopenalex-snapshot
Effect of the gradient of the spin polarization in density functional approximations
inferred← citeshttps://doi.org/10.1103/physreva.100.042701openalex-snapshot
Molecular-size effects on diffraction resonances in positronium formation from fullerenes
inferred← citeshttps://doi.org/10.1103/physreva.100.062507openalex-snapshot
Density- and spin-density-functional theories through spin-free wave functions
inferred← citeshttps://doi.org/10.1103/physreva.104.022815openalex-snapshot
Energy components in spin-density functional theory
inferred← citeshttps://doi.org/10.1103/physreva.108.052803openalex-snapshot
Exchange energies and density functionals for systems of fermions of arbitrary spin
inferred← citeshttps://doi.org/10.1103/physreva.24.1682openalex-snapshot
Sixth-order term of the gradient expansion of the kinetic-energy density functional
inferred← citeshttps://doi.org/10.1103/physreva.34.2614openalex-snapshot
Explicit estimation of ground-state kinetic energies from electron densities
inferred← citeshttps://doi.org/10.1103/physreva.35.438openalex-snapshot
Kinetic-energy functionals via Padé approximations
inferred← citeshttps://doi.org/10.1103/physreva.43.2194openalex-snapshot
Formulation ofN- andv-representable density-functional theory. II. Spin-dependent systems
inferred← citeshttps://doi.org/10.1103/physreva.46.6920openalex-snapshot
Comparison of kinetic-energy density functionals
inferred← citeshttps://doi.org/10.1103/physreva.54.1897openalex-snapshot
Kinetic-energy density functional: Atoms and shell structure
inferred← citeshttps://doi.org/10.1103/physreva.54.4810openalex-snapshot
Separation of the exchange-correlation potential into exchange plus correlation: An optimized effective potential approach
inferred← citeshttps://doi.org/10.1103/physreva.57.4192openalex-snapshot
Kinetic-energy density functionals based on the homogeneous response function applied to one-dimensional fermion systems
inferred← citeshttps://doi.org/10.1103/physreva.76.042506openalex-snapshot
One-parameter optimization of a nonempirical meta-generalized-gradient-approximation for the exchange-correlation energy
inferred← citeshttps://doi.org/10.1103/physreva.77.012509openalex-snapshot
Exact-exchange energy density in the gauge of a semilocal density-functional approximation
inferred← citeshttps://doi.org/10.1103/physreva.85.042515openalex-snapshot
Scaling properties of exchange and correlation holes of the valence shell of second-row atoms
inferred← citeshttps://doi.org/10.1103/physreva.93.023612openalex-snapshot
Ground-state densities of repulsive two-component Fermi gases
inferred← citeshttps://doi.org/10.1103/physreva.95.023404openalex-snapshot
Effects of exchange-correlation potentials on the density-functional description of C60 versus C240 photoionization
inferred← citeshttps://doi.org/10.1103/physrevb.106.125119openalex-snapshot
Polarons free from many-body self-interaction in density functional theory
inferred← citeshttps://doi.org/10.1103/physrevb.107.l201120openalex-snapshot
QMC-consistent static spin and density local field factors for the uniform electron gas
inferred← citeshttps://doi.org/10.1103/physrevb.110.075130openalex-snapshot
Nonlocal machine-learned exchange functional for molecules and solids
inferred← citeshttps://doi.org/10.1103/physrevb.26.4371openalex-snapshot
Study of the density-gradient expansion for the exchange energy
inferred← citeshttps://doi.org/10.1103/physrevb.27.3273openalex-snapshot
Long-range part of the interaction between two hydrogen impurities in jellium
inferred← citeshttps://doi.org/10.1103/physrevb.34.686openalex-snapshot
Fourth-order gradient expansion of the fermion kinetic energy: Extra terms for nonanalytic densities
inferred← citeshttps://doi.org/10.1103/physrevb.37.785openalex-snapshot
Development of the Colle-Salvetti correlation-energy formula into a functional of the electron density
inferred← citeshttps://doi.org/10.1103/physrevb.37.838openalex-snapshot
Chemical bond as a test of density-gradient expansions for kinetic and exchange energies
inferred← citeshttps://doi.org/10.1103/physrevb.43.1399openalex-snapshot
Self-consistent implementation of nonlocal exchange and correlation in a Gaussian density-functional method
inferred← citeshttps://doi.org/10.1103/physrevb.46.6671openalex-snapshot
Atoms, molecules, solids, and surfaces: Applications of the generalized gradient approximation for exchange and correlation
inferred← citeshttps://doi.org/10.1103/physrevb.50.10498openalex-snapshot
Fourth-order gradient corrections to the exchange-only energy functional: Importance of ∇2 ncontributions
inferred← citeshttps://doi.org/10.1103/physrevb.56.10373openalex-snapshot
Spin-ensemble density-functional theory for inhomogeneous quantum Hall systems
inferred← citeshttps://doi.org/10.1103/physrevb.69.075102openalex-snapshot
Tests of a ladder of density functionals for bulk solids and surfaces
inferred← citeshttps://doi.org/10.1103/physrevb.69.155302openalex-snapshot
Exchange-correlation vector potentials and vorticity-dependent exchange-correlation energy densities in two-dimensional systems
inferred← citeshttps://doi.org/10.1103/physrevb.73.045111openalex-snapshot
First-principles calculations of hyperfine parameters with the all-electron mixed-basis method
inferred← citeshttps://doi.org/10.1103/physrevb.73.205104openalex-snapshot
Meta-generalized gradient approximation for the exchange-correlation hole with an application to the jellium surface energy
inferred← citeshttps://doi.org/10.1103/physrevb.75.155109openalex-snapshot
Laplacian-level density functionals for the kinetic energy density and exchange-correlation energy
inferred← citeshttps://doi.org/10.1103/physrevb.76.035124openalex-snapshot
Pseudopotential hyperfine calculations through perturbative core-level polarization
inferred← citeshttps://doi.org/10.1103/physrevb.77.245107openalex-snapshot
Nonempirical density functionals investigated for jellium: Spin-polarized surfaces, spherical clusters, and bulk linear response
inferred← citeshttps://doi.org/10.1103/physrevb.78.197101openalex-snapshot
Comment on “More accurate generalized gradient approximation for solids”
inferred← citeshttps://doi.org/10.1103/physrevb.79.075126openalex-snapshot
Exchange-correlation hole of a generalized gradient approximation for solids and surfaces
inferred← citeshttps://doi.org/10.1103/physrevb.79.115117openalex-snapshot
Kinetic energy density functionals from the Airy gas with an application to the atomization kinetic energies of molecules
inferred← citeshttps://doi.org/10.1103/physrevb.80.035125openalex-snapshot
Exchange-correlation energy functional based on the Airy-gas reference system
inferred← citeshttps://doi.org/10.1103/physrevb.80.115416openalex-snapshot
Spin-dependent dipole excitation in alkali-metal nanoparticles
inferred← citeshttps://doi.org/10.1103/physrevb.84.035117openalex-snapshot
Self-consistent meta-generalized gradient approximation within the projector-augmented-wave method
inferred← citeshttps://doi.org/10.1103/physrevb.88.184103openalex-snapshot
Testing density functionals for structural phase transitions of solids under pressure: Si, SiO 2 , and Zr
inferred← citeshttps://doi.org/10.1103/physrevb.90.125150openalex-snapshot
Correlation energy within exact-exchange adiabatic connection fluctuation-dissipation theory: Systematic development and simple approximations
inferred← citeshttps://doi.org/10.1103/physrevb.95.125115openalex-snapshot
Semilocal exchange hole with an application to range-separated density functionals
inferred← citeshttps://doi.org/10.1103/physrevb.96.075140openalex-snapshot
Challenges for semilocal density functionals with asymptotically nonvanishing potentials
inferred← citeshttps://doi.org/10.1103/physrevlett.112.076403openalex-snapshot
Accurate Homogeneous Electron Gas Exchange-Correlation Free Energy for Local Spin-Density Calculations
inferred← citeshttps://doi.org/10.1103/physrevlett.115.036402openalex-snapshot
Strongly Constrained and Appropriately Normed Semilocal Density Functional
inferred← citeshttps://doi.org/10.1103/physrevlett.117.073001openalex-snapshot
Accurate Semilocal Density Functional for Condensed-Matter Physics and Quantum Chemistry
inferred← citeshttps://doi.org/10.1103/physrevlett.130.233201openalex-snapshot
Plasmonic Resonant Intercluster Coulombic Decay
inferred← citeshttps://doi.org/10.1103/physrevlett.133.136402openalex-snapshot
Balancing the Contributions to the Gradient Expansion: Accurate Binding and Band Gaps with a Nonempirical Meta-GGA
inferred← citeshttps://doi.org/10.1103/physrevlett.134.106402openalex-snapshot
Meta-Generalized Gradient Approximation Made Magnetic
inferred← citeshttps://doi.org/10.1103/physrevlett.77.3865openalex-snapshot
Generalized Gradient Approximation Made Simple
inferred← citeshttps://doi.org/10.1103/physrevlett.82.2544openalex-snapshot
Accurate Density Functional with Correct Formal Properties: A Step Beyond the Generalized Gradient Approximation
showing the first 200 of 238 · page through all 238
Editorial review for independent work. ICSAC — the Institute for Complexity
Science and Advanced Computing — runs a structured editorial panel for researchers
publishing outside journals, and publishes on CiteStamp rails. Submission is free
and goes through ORCID: icsacinstitute.org/submit.