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Approximate calculation of the correlation energy for the closed shells
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inferred← citeshttps://doi.org/10.1007/bf00554228openalex-snapshot
Theoretical investigation on the crossing states1? g + (2 P?2 P) and X2? g + of the dimers Li2, Na2, K2 and their positive ions Li 2 + , Na 2 + and K 2 +
inferred← citeshttps://doi.org/10.1007/bf00555696openalex-snapshot
Relative stability of the2 A 1g and2 E g states of the C2H 6 + ion
inferred← citeshttps://doi.org/10.1007/bf00938772openalex-snapshot
Theoretical study of the ethane ionization spectra within the correlation hole model
inferred← citeshttps://doi.org/10.1007/bf01114680openalex-snapshot
On the accuracy of correlation energy calculated by the correlation factor method: first- and second-row atoms
inferred← citeshttps://doi.org/10.1007/bf01437829openalex-snapshot
Elastic scattering of low and intermediate-energy electrons by Kr and Xe atoms
inferred← citeshttps://doi.org/10.1007/bf02451098openalex-snapshot
Cluster method for the calculation of the electronic density and the ground-state energy of an insulator: Application to solid helium
inferred← citeshttps://doi.org/10.1007/bf02463778openalex-snapshot
Elastic electron scattering from rare gases with exact exchange: a new correlation-polarisation potential
inferred← citeshttps://doi.org/10.1007/bf02840744openalex-snapshot
ApproximatelyN-representable density functional density matrices: The case of largeN
inferred← citeshttps://doi.org/10.1007/bfb0106732openalex-snapshot
Density functionals for non-relativistic coulomb systems
inferred← citeshttps://doi.org/10.1007/bfb0106735openalex-snapshot
A guided tour of time-dependent density functional theory
inferred← citeshttps://doi.org/10.1007/bfb0106736openalex-snapshot
Relativistic density functional theory
inferred← citeshttps://doi.org/10.1007/s00214-005-0060-6openalex-snapshot
The Colle–Salvetti Wavefunction Revisited: a Comparison Between Three Approaches for Obtaining the Correlation Energy
inferred← citeshttps://doi.org/10.1007/s00214-007-0356-9openalex-snapshot
Theoretical investigation of excited states of molecules. An application on the nitrogen molecule
inferred← citeshttps://doi.org/10.1007/s00214-007-0365-8openalex-snapshot
Application of the Colle–Salvetti model to the uniform electron gas
inferred← citeshttps://doi.org/10.1007/s00214-008-0503-yopenalex-snapshot
Activation enthalpies of pericyclic reactions: the performances of some recently proposed functionals
inferred← citeshttps://doi.org/10.1007/s00214-009-0512-5openalex-snapshot
A local-MP2 approach to the ab initio study of electron correlation in crystals and to the simulation of vibrational spectra: the case of Ice XI
inferred← citeshttps://doi.org/10.1007/s00214-009-0515-2openalex-snapshot
A variational density matrix approach with nonlocal effective potential
inferred← citeshttps://doi.org/10.1007/s00214-009-0522-3openalex-snapshot
The importance of Colle–Salvetti for computational density functional theory
inferred← citeshttps://doi.org/10.1007/s00214-009-0526-zopenalex-snapshot
From Hartree–Fock and Heitler–London to chemical orbitals
inferred← citeshttps://doi.org/10.1007/s00214-009-0545-9openalex-snapshot
The self-interaction error and the description of non-dynamic electron correlation in density functional theory
inferred← citeshttps://doi.org/10.1007/s00214-009-0568-2openalex-snapshot
Learning from the past: a personal view on the perspectives of quantum computational chemistry
inferred← citeshttps://doi.org/10.1007/s00214-021-02729-wopenalex-snapshot
Symmetry-adapted density fitting in auxiliary density functional theory
inferred← citeshttps://doi.org/10.1007/s00894-008-0278-zopenalex-snapshot
Molecular modeling studies of poly lactic acid initiation mechanisms
inferred← citeshttps://doi.org/10.1007/s10876-007-0170-5openalex-snapshot
Rational Synthesis of Molybdenum(V) Tetramers Consisting of [Mo2O4]2+ Dimers Held Together by Bridging Phosphinate Ligands and the Tungsten(VI) Dimer [(CH3O)2(O)W(μ-O)(μ-O2PPh2)2W(O)(CH3O)2]: Structural and Theoretical Considerations
inferred← citeshttps://doi.org/10.1007/s10973-019-09078-8openalex-snapshot
Enthalpy of formation for indazoles (indazole, 1H-indazole-3-carboxylic acid, 1H-indazole-5-carboxylic acid, 1H-indazole-6-carboxylic acid and 1-methyl-1H-indazole-6-carboxylic methyl ester): experimental and theoretical studies
inferred← citeshttps://doi.org/10.1007/s12045-023-1655-8openalex-snapshot
Robert G. Parr: A Brief Sketch of Life and Work
inferred← citeshttps://doi.org/10.1007/s12539-010-0073-2openalex-snapshot
Density-functional calculations for large systems: Can GGA functionals Be competitive with hybrid functionals?
inferred← citeshttps://doi.org/10.1016/0009-2614(81)85330-4openalex-snapshot
The coulomb hole and the correlation energy for the electron gas at intermediate densities
inferred← citeshttps://doi.org/10.1016/0009-2614(83)87468-5openalex-snapshot
Potential-energy curves of some electronic states of Na2 and Na2+
inferred← citeshttps://doi.org/10.1016/0009-2614(85)80255-4openalex-snapshot
Quantum Monte Carlo calculations on Be and LiH
inferred← citeshttps://doi.org/10.1016/0009-2614(86)85109-0openalex-snapshot
An empirical estimate of the correlation energy
inferred← citeshttps://doi.org/10.1016/0009-2614(87)80115-xopenalex-snapshot
Connected moments expansion calculations of the correlation energy in small molecules
inferred← citeshttps://doi.org/10.1016/0009-2614(89)87234-3openalex-snapshot
Results obtained with the correlation energy density functionals of becke and Lee, Yang and Parr
inferred← citeshttps://doi.org/10.1016/0009-2614(91)87127-wopenalex-snapshot
Study of correlation in Kohn—Sham density functional theory for exactly solvable two-electron systems
inferred← citeshttps://doi.org/10.1016/0009-2614(91)90187-eopenalex-snapshot
An ab initio Hartree—Fock study of silver chloride
inferred← citeshttps://doi.org/10.1016/0009-2614(92)85008-xopenalex-snapshot
Kohn—Sham bond lengths and frequencies calculated with accurate quadrature and large basis sets
inferred← citeshttps://doi.org/10.1016/0009-2614(92)85738-vopenalex-snapshot
Correlation contributions to first ionization potentials of first-row atoms, hydrides and dimers obtained with gradient corrected GGA91 density functionals
inferred← citeshttps://doi.org/10.1016/0009-2614(93)85196-uopenalex-snapshot
Chemical applications of density functional theory: F−3 anion dissociation (F−3 → F2 + F−)
inferred← citeshttps://doi.org/10.1016/0009-2614(94)00062-xopenalex-snapshot
An implementation of a Kohn—Sham density functional program using a Gaussian-type basis set. Application to the equilibrium geometry of C60 and C70
inferred← citeshttps://doi.org/10.1016/0009-2614(94)00179-0openalex-snapshot
Density functional LCAO calculation of periodic systems. A posteriori correction of the Hartree-Fock energy of covalent and ionic crystals
inferred← citeshttps://doi.org/10.1016/0009-2614(94)00289-4openalex-snapshot
The transferability of the dynamic correlation energy in conjugated molecules
inferred← citeshttps://doi.org/10.1016/0009-2614(94)00459-5openalex-snapshot
Density functional calculations on hydrocarbon isodesmic reactions
inferred← citeshttps://doi.org/10.1016/0009-2614(94)01189-3openalex-snapshot
Nonlocal correlation functional involving the Laplacian of the density
inferred← citeshttps://doi.org/10.1016/0009-2614(95)00500-4openalex-snapshot
Density-functional theory using an optimized exchange-correlation potential
inferred← citeshttps://doi.org/10.1016/0009-2614(96)00591-xopenalex-snapshot
An ab initio Hartree-Fock investigation of galena (PbS)
inferred← citeshttps://doi.org/10.1016/0010-4655(86)90043-3openalex-snapshot
Computer simulation package for liquids and solids with polar interactions
inferred← citeshttps://doi.org/10.1016/0010-4655(94)90163-5openalex-snapshot
Hartree-Fock perturbed-cluster treatment of local defects in crystals
inferred← citeshttps://doi.org/10.1016/0039-6028(89)90390-7openalex-snapshot
Ab-initio Hartree-Fock perturbed-cluster treatment of local chemisorption
inferred← citeshttps://doi.org/10.1016/0042-207x(94)00097-2openalex-snapshot
An ab initio Hartree-Fock study of the adsorption system
inferred← citeshttps://doi.org/10.1016/0166-1280(89)80064-8openalex-snapshot
Reduced density matrices N-representable by correlated determinant wavefunctions
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