On the public citation graph

DFT-SAPT Intermolecular Interaction Energies Employing Exact-Exchange Kohn–Sham Response Methods

https://doi.org/10.1021/acs.jctc.7b01233

0 signed · 190 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.

Claim with ORCID

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 See whether every reference in this work resolves to a known work and none has been retracted — and get a dated CiteStamped badge you can embed.

See reference health

What this work says

Outgoing claims: the papers this work cites, builds on, or argues with.

inferredcites →https://doi.org/10.1002/(sici)1097-461x(1996)60:1<273::aid-qua28>3.0.co;2-eopenalex-snapshot

On the limits of validity of the symmetrized Rayleigh-Schr�dinger perturbation theory

inferredcites →https://doi.org/10.1002/(sici)1097-461x(1998)69:3<265::aid-qua6>3.0.co;2-topenalex-snapshot

Exact exchange kernel for time-dependent density-functional theory

inferredcites →https://doi.org/10.1002/1097-461x(2000)80:4/5<534::aid-qua3>3.0.co;2-vopenalex-snapshot

Excitation energies from time-dependent density functional theory using exact and approximate potentials

inferredcites →https://doi.org/10.1002/9780470684559openalex-snapshot

Methods of Molecular Quantum Mechanics: An Introduction to Electronic Molecular Structure

inferredcites →https://doi.org/10.1002/cphc.201100826openalex-snapshot

Benchmarking Density Functional Methods against the S66 and S66x8 Datasets for Non‐Covalent Interactions

inferredcites →https://doi.org/10.1002/jcc.20702openalex-snapshot

Hartree–Fock exchange fitting basis sets for H to Rn †

inferredcites →https://doi.org/10.1002/qua.22561openalex-snapshot

Molecular excitation spectra by TDDFT with the nonadiabatic exact exchange kernel

inferredcites →https://doi.org/10.1002/qua.560100208openalex-snapshot

First‐Order perturbation treatment of the short‐range repulsion in a system of many closed‐shell atoms or molecules

inferredcites →https://doi.org/10.1002/qua.560140306openalex-snapshot

Symmetry forcing and convergence properties of perturbation expansions for molecular interaction energies

inferredcites →https://doi.org/10.1002/qua.560320202openalex-snapshot

Direct calculation of the Hartree–Fock interaction energy via exchange–perturbation expansion. The He … He interaction

inferredcites →https://doi.org/10.1002/qua.560450502openalex-snapshot

Møller–Plesset expansion of the dispersion energy in the ring approximation

inferredcites →https://doi.org/10.1002/wcms.1164openalex-snapshot

Symmetry‐adapted perturbation theory based on density functional theory for noncovalent interactions

inferredcites →https://doi.org/10.1002/wcms.8openalex-snapshot

Noncovalent interactions in biochemistry

inferredcites →https://doi.org/10.1002/wcms.82openalex-snapshot

Molpro: a general‐purpose quantum chemistry program package

inferredcites →https://doi.org/10.1002/wcms.86openalex-snapshot

Symmetry‐adapted perturbation theory of intermolecular forces

inferredcites →https://doi.org/10.1002/wcms.93openalex-snapshot

Psi4: an open‐source ab initio electronic structure program

inferredcites →https://doi.org/10.1007/430_004openalex-snapshot

Intermolecular Interactions via Perturbation Theory: From Diatoms to Biomolecules

inferredcites →https://doi.org/10.1007/978-3-642-93182-6openalex-snapshot

Intermolecular Forces and Their Evaluation by Perturbation Theory

inferredcites →https://doi.org/10.1007/s00214-002-0377-3openalex-snapshot

Two new symmetry-adapted perturbation theories for the calculation of intermolecular interaction energies

inferredcites →https://doi.org/10.1016/b978-0-12-809835-6.00003-7openalex-snapshot

Energy Partition Analyses: Symmetry-Adapted Perturbation Theory and Other Techniques

inferredcites →https://doi.org/10.1016/j.cplett.2005.08.048openalex-snapshot

Efficient calculation of coupled Kohn–Sham dynamic susceptibility functions and dispersion energies with density fitting

inferredcites →https://doi.org/10.1016/j.cplett.2008.02.042openalex-snapshot

Comparison between optimized effective potential and Kohn–Sham methods

inferredcites →https://doi.org/10.1016/s0009-2614(02)00533-xopenalex-snapshot

Intermolecular forces from asymptotically corrected density functional description of monomers

inferredcites →https://doi.org/10.1016/s0009-2614(02)00538-9openalex-snapshot

First-order intermolecular interaction energies from Kohn–Sham orbitals

inferredcites →https://doi.org/10.1016/s0009-2614(02)01097-7openalex-snapshot

Intermolecular induction and exchange-induction energies from coupled-perturbed Kohn–Sham density functional theory

inferredcites →https://doi.org/10.1016/s0009-2614(02)01796-7openalex-snapshot

Intermolecular dispersion energies from time-dependent density functional theory

inferredcites →https://doi.org/10.1016/s0009-2614(97)00651-9openalex-snapshot

Toward reliable adiabatic connection models free from adjustable parameters

inferredcites →https://doi.org/10.1017/cbo9780511596834openalex-snapshot

Many-Body Methods in Chemistry and Physics

inferredcites →https://doi.org/10.1021/acs.jctc.5b00024openalex-snapshot

Molecular Excitation Energies from Time-Dependent Density Functional Theory Employing Random-Phase Approximation Hessians with Exact Exchange

inferredcites →https://doi.org/10.1021/cr00031a008openalex-snapshot

Perturbation Theory Approach to Intermolecular Potential Energy Surfaces of van der Waals Complexes

inferredcites →https://doi.org/10.1021/cr1000173openalex-snapshot

Stabilization and Structure Calculations for Noncovalent Interactions in Extended Molecular Systems Based on Wave Function and Density Functional Theories

inferredcites →https://doi.org/10.1021/ct050304hopenalex-snapshot

Density-Fitting Method in Symmetry-Adapted Perturbation Theory Based on Kohn−Sham Description of Monomers

inferredcites →https://doi.org/10.1021/ct1002253openalex-snapshot

Comparative Study of Selected Wave Function and Density Functional Methods for Noncovalent Interaction Energy Calculations Using the Extended S22 Data Set

inferredcites →https://doi.org/10.1021/ct100466kopenalex-snapshot

Efficient and Accurate Double-Hybrid-Meta-GGA Density Functionals—Evaluation with the Extended GMTKN30 Database for General Main Group Thermochemistry, Kinetics, and Noncovalent Interactions

inferredcites →https://doi.org/10.1021/ct2002946openalex-snapshot

S66: A Well-balanced Database of Benchmark Interaction Energies Relevant to Biomolecular Structures

inferredcites →https://doi.org/10.1021/ct200751eopenalex-snapshot

Advanced Corrections of Hydrogen Bonding and Dispersion for Semiempirical Quantum Mechanical Methods

inferredcites →https://doi.org/10.1021/ct300735gopenalex-snapshot

Assessment of a Nonlocal Correction Scheme to Semilocal Density Functional Theory Methods

inferredcites →https://doi.org/10.1021/ct4007212openalex-snapshot

On the Short-Range Behavior of Correlated Pair Functions from the Adiabatic-Connection Fluctuation–Dissipation Theorem of Density-Functional Theory

inferredcites →https://doi.org/10.1021/ct401111copenalex-snapshot

Quantum Mechanical Calculation of Noncovalent Interactions: A Large-Scale Evaluation of PMx, DFT, and SAPT Approaches

inferredcites →https://doi.org/10.1021/ct5000692openalex-snapshot

Erratum to “S66: A Well-balanced Database of Benchmark Interaction Energies Relevant to Biomolecular Structures”

inferredcites →https://doi.org/10.1021/ct900232jopenalex-snapshot

Exchange-Dispersion Energy: A Formulation in Terms of Monomer Properties and Coupled Cluster Treatment of Intramonomer Correlation

inferredcites →https://doi.org/10.1021/ct9005882openalex-snapshot

Accurate Intermolecular Interaction Energies from a Combination of MP2 and TDDFT Response Theory

inferredcites →https://doi.org/10.1021/j100257a010openalex-snapshot

AB-initio prediction of properties of carbon dioxide, ammonia, and carbon dioxide...ammonia

inferredcites →https://doi.org/10.1021/ja0633363openalex-snapshot

Interaction Energy Contributions of H-Bonded and Stacked Structures of the AT and GC DNA Base Pairs from the Combined Density Functional Theory and Intermolecular Perturbation Theory Approach

inferredcites →https://doi.org/10.1021/jp0112774openalex-snapshot

Comment on “Using Kohn−Sham Orbitals in Symmetry-Adapted Perturbation Theory To Investigate Intermolecular Interactions”

inferredcites →https://doi.org/10.1021/jp0225774openalex-snapshot

Ionization Potential, Electron Affinity, Electronegativity, Hardness, and Electron Excitation Energy: Molecular Properties from Density Functional Theory Orbital Energies

inferredcites →https://doi.org/10.1021/jp035667xopenalex-snapshot

A New, Self-Contained Asymptotic Correction Scheme To Exchange-Correlation Potentials for Time-Dependent Density Functional Theory

inferredcites →https://doi.org/10.1021/jp064095oopenalex-snapshot

Potential Energy Surface for the Benzene Dimer and Perturbational Analysis of π−π Interactions

inferredcites →https://doi.org/10.1021/jp403578ropenalex-snapshot

Cation−π Interactions: Accurate Intermolecular Potential from Symmetry-Adapted Perturbation Theory

inferredcites →https://doi.org/10.1021/jp993839dopenalex-snapshot

Assessment of Conventional Density Functional Schemes for Computing the Dipole Moment and (Hyper)polarizabilities of Push−Pull π-Conjugated Systems

inferredcites →https://doi.org/10.1039/b003049jopenalex-snapshot

Atomic and molecular exchange-correlation charges in Kohn–Sham theory

inferredcites →https://doi.org/10.1039/b310529fopenalex-snapshot

The helium dimer potential from a combined density functional theory and symmetry-adapted perturbation theory approach using an exact exchange–correlation potential

inferredcites →https://doi.org/10.1039/b600027dopenalex-snapshot

Benchmark database of accurate (MP2 and CCSD(T) complete basis set limit) interaction energies of small model complexes, DNA base pairs, and amino acid pairs

inferredcites →https://doi.org/10.1039/b618997kopenalex-snapshot

How accurate is the density functional theory combined with symmetry-adapted perturbation theory approach for CH–π and π–π interactions? A comparison to supermolecular calculations for the acetylene–benzene dimer

inferredcites →https://doi.org/10.1039/b807329eopenalex-snapshot

Second-order exchange-induction energy of intermolecular interactions from coupled cluster density matrices and their cumulants

inferredcites →https://doi.org/10.1039/b926808aopenalex-snapshot

Improved interaction energy benchmarks for dimers of biological relevance

inferredcites →https://doi.org/10.1039/df9654000007openalex-snapshot

Spiers Memorial Lecture. Intermolecular forces

inferredcites →https://doi.org/10.1063/1.1290002openalex-snapshot

Kohn–Sham calculations using hybrid exchange-correlation functionals with asymptotically corrected potentials

inferredcites →https://doi.org/10.1063/1.1327260openalex-snapshot

Shape corrections to exchange-correlation potentials by gradient-regulated seamless connection of model potentials for inner and outer region

inferredcites →https://doi.org/10.1063/1.1381013openalex-snapshot

Can optimized effective potentials be determined uniquely?

inferredcites →https://doi.org/10.1063/1.1445115openalex-snapshot

Efficient use of the correlation consistent basis sets in resolution of the identity MP2 calculations

inferredcites →https://doi.org/10.1063/1.1460869openalex-snapshot

Time-dependent density functional theory employing optimized effective potentials

inferredcites →https://doi.org/10.1063/1.1467900openalex-snapshot

Exchange-only optimized effective potential for molecules from resolution-of-the-identity techniques: Comparison with the local density approximation, with and without asymptotic correction

inferredcites →https://doi.org/10.1063/1.1476007openalex-snapshot

On the required shape corrections to the local density and generalized gradient approximations to the Kohn–Sham potentials for molecular response calculations of (hyper)polarizabilities and excitation energies

inferredcites →https://doi.org/10.1063/1.1535422openalex-snapshot

A direct optimization method for calculating density functionals and exchange–correlation potentials from electron densities

inferredcites →https://doi.org/10.1063/1.1824898openalex-snapshot

Density-functional theory-symmetry-adapted intermolecular perturbation theory with density fitting: A new efficient method to study intermolecular interaction energies

inferredcites →https://doi.org/10.1063/1.1904583openalex-snapshot

Orbital- and state-dependent functionals in density-functional theory

inferredcites →https://doi.org/10.1063/1.2135288openalex-snapshot

Intermolecular potentials based on symmetry-adapted perturbation theory with dispersion energies from time-dependent density-functional calculations

inferredcites →https://doi.org/10.1063/1.2194546openalex-snapshot

Optimized effective potentials yielding Hartree–Fock energies and densities

inferredcites →https://doi.org/10.1063/1.2213970openalex-snapshot

A simple effective potential for exchange

inferredcites →https://doi.org/10.1063/1.2220040openalex-snapshot

Interaction potential for water dimer from symmetry-adapted perturbation theory based on density functional description of monomers

inferredcites →https://doi.org/10.1063/1.2358353openalex-snapshot

Third-order interactions in symmetry-adapted perturbation theory

inferredcites →https://doi.org/10.1063/1.2751159openalex-snapshot

Numerically stable optimized effective potential method with balanced Gaussian basis sets

inferredcites →https://doi.org/10.1063/1.2826366openalex-snapshot

Relation between exchange-only optimized potential and Kohn–Sham methods with finite basis sets, and effect of linearly dependent products of orbital basis functions

inferredcites →https://doi.org/10.1063/1.2889006openalex-snapshot

Dispersion energy from density-fitted density susceptibilities of singles and doubles coupled cluster theory

inferredcites →https://doi.org/10.1063/1.2933312openalex-snapshot

First-order exchange energy of intermolecular interactions from coupled cluster density matrices and their cumulants

inferredcites →https://doi.org/10.1063/1.3300064openalex-snapshot

Interactions of graphene sheets deduced from properties of polycyclic aromatic hydrocarbons

inferredcites →https://doi.org/10.1063/1.3378024openalex-snapshot

Basis set consistent revision of the S22 test set of noncovalent interaction energies

inferredcites →https://doi.org/10.1063/1.3426316openalex-snapshot

Density fitting and Cholesky decomposition approximations in symmetry-adapted perturbation theory: Implementation and application to probe the nature of π-π interactions in linear acenes

inferredcites →https://doi.org/10.1063/1.3451077openalex-snapshot

Density fitting of intramonomer correlation effects in symmetry-adapted perturbation theory

inferredcites →https://doi.org/10.1063/1.3479400openalex-snapshot

Efficient evaluation of triple excitations in symmetry-adapted perturbation theory via second-order Møller–Plesset perturbation theory natural orbitals

inferredcites →https://doi.org/10.1063/1.3517312openalex-snapshot

Efficient exact-exchange time-dependent density-functional theory methods and their relation to time-dependent Hartree–Fock

inferredcites →https://doi.org/10.1063/1.3626551openalex-snapshot

Closed-shell ring coupled cluster doubles theory with range separation applied on weak intermolecular interactions

inferredcites →https://doi.org/10.1063/1.3656681openalex-snapshot

Large-scale symmetry-adapted perturbation theory computations via density fitting and Laplace transformation techniques: Investigating the fundamental forces of DNA-intercalator interactions

inferredcites →https://doi.org/10.1063/1.3663856openalex-snapshot

Long-range corrected hybrid functionals for π-conjugated systems: Dependence of the range-separation parameter on conjugation length

inferredcites →https://doi.org/10.1063/1.3687005openalex-snapshot

Basis set convergence of molecular correlation energy differences within the random phase approximation

inferredcites →https://doi.org/10.1063/1.3697845openalex-snapshot

Resolution of identity approach for the Kohn-Sham correlation energy within the exact-exchange random-phase approximation

inferredcites →https://doi.org/10.1063/1.456153openalex-snapshot

Gaussian basis sets for use in correlated molecular calculations. I. The atoms boron through neon and hydrogen

inferredcites →https://doi.org/10.1063/1.458230openalex-snapshot

Symmetry-adapted perturbation theory calculation of the intra-atomic correlation contribution to the short-range repulsion of helium atoms

inferredcites →https://doi.org/10.1063/1.461528openalex-snapshot

Many-body symmetry-adapted perturbation theory of intermolecular interactions. H2O and HF dimers

inferredcites →https://doi.org/10.1063/1.462569openalex-snapshot

Electron affinities of the first-row atoms revisited. Systematic basis sets and wave functions

inferredcites →https://doi.org/10.1063/1.464303openalex-snapshot

Gaussian basis sets for use in correlated molecular calculations. III. The atoms aluminum through argon

inferredcites →https://doi.org/10.1063/1.465554openalex-snapshot

Many-body perturbation theory of electrostatic interactions between molecules: Comparison with full configuration interaction for four-electron dimers

inferredcites →https://doi.org/10.1063/1.466439openalex-snapshot

Gaussian basis sets for use in correlated molecular calculations. IV. Calculation of static electrical response properties

inferredcites →https://doi.org/10.1063/1.466661openalex-snapshot

Many-body theory of exchange effects in intermolecular interactions. Second-quantization approach and comparison with full configuration interaction results

inferredcites →https://doi.org/10.1063/1.467225openalex-snapshot

Many-body theory of exchange effects in intermolecular interactions. Density matrix approach and applications to He–F−, He–HF, H2–HF, and Ar–H2 dimers

inferredcites →https://doi.org/10.1063/1.470309openalex-snapshot

On the effectiveness of monomer-, dimer-, and bond-centered basis functions in calculations of intermolecular interaction energies

inferredcites →https://doi.org/10.1063/1.470646openalex-snapshot

Dispersion energy in the coupled pair approximation with noniterative inclusion of single and triple excitations

inferredcites →https://doi.org/10.1063/1.472753openalex-snapshot

Exchange-correlation potentials

inferredcites →https://doi.org/10.1063/1.473838openalex-snapshot

Accurate numerical determination of Kohn-Sham potentials from electronic densities: I. Two-electron systems

inferredcites →https://doi.org/10.1063/1.477711openalex-snapshot

Improving virtual Kohn–Sham orbitals and eigenvalues: Application to excitation energies and static polarizabilities

inferredcites →https://doi.org/10.1063/1.477731openalex-snapshot

Assessment of conventional density functional schemes for computing the polarizabilities and hyperpolarizabilities of conjugated oligomers: An ab initio investigation of polyacetylene chains

inferredcites →https://doi.org/10.1063/1.478522openalex-snapshot

Toward reliable density functional methods without adjustable parameters: The PBE0 model

inferredcites →https://doi.org/10.1063/1.481309openalex-snapshot

First-order intermolecular interaction energies from coupled-cluster Brueckner orbitals

inferredcites →https://doi.org/10.1063/1.481544openalex-snapshot

Accuracy of atomization energies and reaction enthalpies in standard and extrapolated electronic wave function/basis set calculations

inferredcites →https://doi.org/10.1063/1.4818984openalex-snapshot

Efficient self-consistent treatment of electron correlation within the random phase approximation

inferredcites →https://doi.org/10.1063/1.4826520openalex-snapshot

Tractability gains in symmetry-adapted perturbation theory including coupled double excitations: CCD+ST(CCD) dispersion with natural orbital truncations

inferredcites →https://doi.org/10.1063/1.4827297openalex-snapshot

Linear-scaling symmetry-adapted perturbation theory with scaled dispersion

inferredcites →https://doi.org/10.1063/1.4862644openalex-snapshot

Symmetry-adapted perturbation theory with Kohn-Sham orbitals using non-empirically tuned, long-range-corrected density functionals

inferredcites →https://doi.org/10.1063/1.4867135openalex-snapshot

Levels of symmetry adapted perturbation theory (SAPT). I. Efficiency and performance for interaction energies

inferredcites →https://doi.org/10.1063/1.4893990openalex-snapshot

Intermolecular symmetry-adapted perturbation theory study of large organic complexes

inferredcites →https://doi.org/10.1063/1.4896608openalex-snapshot

Tuned range-separated hybrid functionals in the symmetry-adapted perturbation theory

inferredcites →https://doi.org/10.1063/1.4903765openalex-snapshot

Appointing silver and bronze standards for noncovalent interactions: A comparison of spin-component-scaled (SCS), explicitly correlated (F12), and specialized wavefunction approaches

inferredcites →https://doi.org/10.1063/1.4918680openalex-snapshot

Polarisabilities of long conjugated chain molecules with density functional response methods: The role of coupled and uncoupled response

inferredcites →https://doi.org/10.1063/1.4922517openalex-snapshot

Self-consistent Kohn-Sham method based on the adiabatic-connection fluctuation-dissipation theorem and the exact-exchange kernel

inferredcites →https://doi.org/10.1063/1.5007929openalex-snapshot

Communication: Symmetry-adapted perturbation theory with intermolecular induction and dispersion energies from the Bethe–Salpeter equation

inferredcites →https://doi.org/10.1080/00268970600673975openalex-snapshot

Time-independent coupled cluster theory of the polarization propagator. Implementation and application of the singles and doubles model to dynamic polarizabilities and van der Waals constants†

inferredcites →https://doi.org/10.1080/00268970903476662openalex-snapshot

Random phase approximation correlation energies with exact Kohn–Sham exchange

inferredcites →https://doi.org/10.1080/00268977000101561openalex-snapshot

The calculation of small molecular interactions by the differences of separate total energies. Some procedures with reduced errors

inferredcites →https://doi.org/10.1080/00268978400102151openalex-snapshot

An intermolecular perturbation theory for the region of moderate overlap

inferredcites →https://doi.org/10.1093/acprof:oso/9780199672394.001.0001openalex-snapshot

The Theory of Intermolecular Forces

inferredcites →https://doi.org/10.1093/oso/9780198558842.001.0001openalex-snapshot

The Theory of Intermolecular Forces

inferredcites →https://doi.org/10.1103/physrev.140.a1133openalex-snapshot

Self-Consistent Equations Including Exchange and Correlation Effects

inferredcites →https://doi.org/10.1103/physrev.90.317openalex-snapshot

A Variational Approach to the Unipotential Many-Electron Problem

inferredcites →https://doi.org/10.1103/physreva.14.36openalex-snapshot

Optimized effective atomic central potential

inferredcites →https://doi.org/10.1103/physreva.39.3761openalex-snapshot

Exchange holes in inhomogeneous systems: A coordinate-space model

inferredcites →https://doi.org/10.1103/physreva.47.r1591openalex-snapshot

Construction of exact Kohn-Sham orbitals from a given electron density

inferredcites →https://doi.org/10.1103/physreva.49.2421openalex-snapshot

Exchange-correlation potential with correct asymptotic behavior

inferredcites →https://doi.org/10.1103/physreva.50.2138openalex-snapshot

From electron densities to Kohn-Sham kinetic energies, orbital energies, exchange-correlation potentials, and exchange-correlation energies

inferredcites →https://doi.org/10.1103/physreva.57.2556openalex-snapshot

Density-functional-theory response-property calculations with accurate exchange-correlation potentials

inferredcites →https://doi.org/10.1103/physreva.57.3433openalex-snapshot

Exact exchange-correlation kernel for dynamic response properties and excitation energies in density-functional theory

inferredcites →https://doi.org/10.1103/physreva.69.012502openalex-snapshot

Variational method for inverting the Kohn-Sham procedure

inferredcites →https://doi.org/10.1103/physreva.73.010502openalex-snapshot

Exact-exchange time-dependent density-functional theory with the frequency-dependent kernel

inferredcites →https://doi.org/10.1103/physreva.80.012507openalex-snapshot

Charge-transfer excitation energies with a time-dependent density-functional method suitable for orbital-dependent exchange-correlation kernels

inferredcites →https://doi.org/10.1103/physreva.85.012517openalex-snapshot

Random-phase-approximation correlation method including exchange interactions

inferredcites →https://doi.org/10.1103/physrevb.73.115127openalex-snapshot

Kohn-Sham inversion and iterative energy minimization

inferredcites →https://doi.org/10.1103/physrevb.88.035120openalex-snapshot

Renormalized second-order perturbation theory for the electron correlation energy: Concept, implementation, and benchmarks

inferredcites →https://doi.org/10.1103/physrevlett.100.133004openalex-snapshot

Electrical Response of Molecular Systems: The Power of Self-Interaction Corrected Kohn-Sham Theory

inferredcites →https://doi.org/10.1103/physrevlett.52.997openalex-snapshot

Density-Functional Theory for Time-Dependent Systems

inferredcites →https://doi.org/10.1103/physrevlett.77.3865openalex-snapshot

Generalized Gradient Approximation Made Simple

inferredcites →https://doi.org/10.1103/physrevlett.83.5459openalex-snapshot

New KS Method for Molecules Based on an Exchange Charge Density Generating the Exact Local KS Exchange Potential

inferredcites →https://doi.org/10.1103/physrevlett.91.033201openalex-snapshot

Dispersion Energy from Density-Functional Theory Description of Monomers

inferredcites →https://doi.org/10.1103/physrevlett.93.213002openalex-snapshot

Electrical Response of Molecular Chains from Density Functional Theory

inferredcites →https://doi.org/10.1103/physrevlett.98.256401openalex-snapshot

Optimized Effective Potentials in Finite Basis Sets

inferredcites →https://doi.org/10.1142/s0219633603000690openalex-snapshot

ALGEBRAIC EQUATION AND ITERATIVE OPTIMIZATION FOR THE OPTIMIZED EFFECTIVE POTENTIAL IN DENSITY FUNCTIONAL THEORY

inferredcites →https://doi.org/10.1201/9781315380476openalex-snapshot

CRC Handbook of Chemistry and Physics

inferredcites →https://doi.org/10.1524/zpch.2010.6108openalex-snapshot

Density-Functional Theory with Orbital-Dependent Functionals: Exact-exchange Kohn-Sham and Density-Functional Response Methods

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.4570324openalex-extracted

Selectivity of Dodecylamine Hydrochloride on the Surface of Gypsum and Quartz: Mechanism and Application

inferred← citeshttps://doi.org/10.1002/adts.202000260openalex-snapshot

Polarization Energies from Efficient Representation of the Linear Density–Density Response Function

inferred← citeshttps://doi.org/10.1002/ange.202421922openalex-snapshot

A Generally Applicable Method for Disentangling the Effect of Individual Noncovalent Interactions on the Binding Energy

inferred← citeshttps://doi.org/10.1002/anie.202421922openalex-snapshot

A Generally Applicable Method for Disentangling the Effect of Individual Noncovalent Interactions on the Binding Energy

inferred← citeshttps://doi.org/10.1002/chem.202102163openalex-snapshot

How Aromatic Fluorination Exchanges the Interaction Role of Pyridine with Carbonyl Compounds: The Formaldehyde Adduct

inferred← citeshttps://doi.org/10.1002/jcc.26043openalex-snapshot

Physical nature of silane⋯carbene dimers revealed by state‐of‐the‐art ab initio calculations

inferred← citeshttps://doi.org/10.1002/jcc.26046openalex-snapshot

Efficient representation of the linear density‐density response function

inferred← citeshttps://doi.org/10.1002/jctb.70051openalex-snapshot

COSMO ‐ RS prediction, liquid–liquid equilibrium experiment and quantum chemical calculation to separate n‐hexane and n‐propanol azeotropic system with ionic liquids

inferred← citeshttps://doi.org/10.1002/sia.7320openalex-snapshot

Selective flotation separation of gypsum and quartz using dodecyl amine hydrochloride as collector: Mechanism and application

inferred← citeshttps://doi.org/10.1002/wcms.1442openalex-snapshot

Finding chemical concepts in the Hilbert space: Coupled cluster analyses of noncovalent interactions

inferred← citeshttps://doi.org/10.1002/wcms.1452openalex-snapshot

Recent developments in symmetry‐adapted perturbation theory

inferred← citeshttps://doi.org/10.1007/978-3-030-83244-5_3openalex-snapshot

First-Principles Modeling of Non-covalent Interactions in Molecular Systems and Extended Materials

inferred← citeshttps://doi.org/10.1007/s00894-019-4038-zopenalex-snapshot

The Feynman dispersion correction for MNDO extended to F, Cl, Br and I

inferred← citeshttps://doi.org/10.1016/b978-0-443-33403-0.00015-xopenalex-snapshot

Symmetry-adapted perturbation theory as a tool for studying triel-bonded intermolecular complexes

inferred← citeshttps://doi.org/10.1016/j.chemphys.2022.111474openalex-snapshot

Intramolecular resonance-assisted hydrogen bonds: Insights from symmetry adapted perturbation theory

inferred← citeshttps://doi.org/10.1016/j.heliyon.2021.e07317openalex-snapshot

Molecular dynamics, quantum mechanics and docking studies of some Keap1 inhibitors – An insight into the atomistic mechanisms of their antioxidant potential

inferred← citeshttps://doi.org/10.1016/j.molliq.2024.126455openalex-snapshot

COSMO-RS prediction, experimental investigation, and mechanism analysis: A new approach to separating the n-hexane - tert-butanol azeotropic system via liquid-liquid extraction with ionic liquids

inferred← citeshttps://doi.org/10.1021/acs.jctc.1c01295openalex-snapshot

Open-Shell Variant of the London Dispersion-Corrected Hartree–Fock Method (HFLD) for the Quantification and Analysis of Noncovalent Interaction Energies

inferred← citeshttps://doi.org/10.1021/acs.jctc.3c00797openalex-snapshot

Universal Pairwise Interatomic van der Waals Potentials Based on Quantum Drude Oscillators

inferred← citeshttps://doi.org/10.1021/acs.jctc.3c00930openalex-snapshot

Using Noncovalent Interactions to Test the Precision of Projector-Augmented Wave Data Sets

inferred← citeshttps://doi.org/10.1021/acs.jctc.3c00977openalex-snapshot

Unraveling Atomic Contributions to the London Dispersion Energy: Insights into Molecular Recognition and Reactivity

inferred← citeshttps://doi.org/10.1021/acs.jctc.4c00337openalex-snapshot

Developing a Differentiable Long-Range Force Field for Proteins with E(3) Neural Network-Predicted Asymptotic Parameters

inferred← citeshttps://doi.org/10.1021/acs.jctc.4c00941openalex-snapshot

Dispersionless Nonhybrid Density Functional

inferred← citeshttps://doi.org/10.1021/acs.jctc.4c01477openalex-snapshot

Improving Exchange-Correlation Potentials of Standard Density Functionals with the Optimized-Effective-Potential Method for Higher Accuracy of Excitation Energies

inferred← citeshttps://doi.org/10.1021/acs.jctc.4c01512openalex-snapshot

Another Angle on Benchmarking Noncovalent Interactions

inferred← citeshttps://doi.org/10.1021/acs.jctc.6c00983openalex-snapshot

Potential-Averaged ΔSCF Methods: Underlying Formalism and Evaluation of Accuracy of Excitation Energies

inferred← citeshttps://doi.org/10.1021/acs.jctc.6c01258openalex-snapshot

Dispersion from Polarizabilities of Atoms in Molecule: DPAIM

inferred← citeshttps://doi.org/10.1021/acs.jctc.9b00425openalex-snapshot

HFLD: A Nonempirical London Dispersion-Corrected Hartree–Fock Method for the Quantification and Analysis of Noncovalent Interaction Energies of Large Molecular Systems

inferred← citeshttps://doi.org/10.1021/acs.jpca.9b11900openalex-snapshot

Ab Initio Extended Hartree–Fock plus Dispersion Method Applied to Dimers with Hundreds of Atoms

inferred← citeshttps://doi.org/10.1021/acsomega.5c07079openalex-snapshot

Computationally Efficient Yet Quantitatively Accurate Scaled MP2 Protocols for the Prediction of Weak Interaction Energies in Complex Biological Systems

inferred← citeshttps://doi.org/10.1039/d2cp03938aopenalex-snapshot

S66x8 noncovalent interactions revisited: new benchmark and performance of composite localized coupled-cluster methods

inferred← citeshttps://doi.org/10.1039/d4cp03697bopenalex-snapshot

Rationalizing polymorphism with local correlation-based methods: a case study of pnictogen molecular crystals

inferred← citeshttps://doi.org/10.1063/1.5053802openalex-snapshot

Theoretical study of the complexes of dichlorobenzene isomers with argon. II. SAPT analysis of the intermolecular interaction

inferred← citeshttps://doi.org/10.1063/1.5087208openalex-snapshot

ZMP-SAPT: DFT-SAPT using ab initio densities

inferred← citeshttps://doi.org/10.1063/5.0005081openalex-snapshot

The Molpro quantum chemistry package

inferred← citeshttps://doi.org/10.1063/5.0005093openalex-snapshot

SAPT codes for calculations of intermolecular interaction energies

inferred← citeshttps://doi.org/10.1080/00268976.2025.2540491openalex-snapshot

Incorrect asymptotics of dispersion energy in dispersion-augmented density functional approximations

inferred← citeshttps://doi.org/10.1103/physrevlett.121.113402openalex-snapshot

Do Semilocal Density-Functional Approximations Recover Dispersion Energies at Small Intermonomer Separations?

inferred← citeshttps://doi.org/10.11648/j.mc.20231101.12openalex-snapshot

Molecular Docking of the Inhibitory Activities of Selected Phytochemicals in Artemisia Afra Against NADH-Ubiquinone Oxidoreductase of Plasmodium Falciparum (PfNDH2)

inferred← citeshttps://doi.org/10.1186/s12859-025-06272-4openalex-snapshot

DCMF-PPI: a protein-protein interaction predictor based on dynamic condition and multi-feature fusion

inferred← citeshttps://doi.org/10.1186/s13321-024-00890-5openalex-snapshot

An automated calculation pipeline for differential pair interaction energies with molecular force fields using the Tinker Molecular Modeling Package

inferred← citeshttps://doi.org/10.3390/molecules27010017openalex-snapshot

Perfluorination of Aromatic Compounds Reinforce Their van der Waals Interactions with Rare Gases: The Rotational Spectrum of Pentafluoropyridine-Ne

inferred← citeshttps://doi.org/10.3390/molecules27030912openalex-snapshot

The Adsorption of Small Molecules on the Copper Paddle-Wheel: Influence of the Multi-Reference Ground State

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.