Exchange holes in inhomogeneous systems: A coordinate-space model
about
sameAs
The role of the reference state in long-range random phase approximation correlation.A simple but fully nonlocal correction to the random phase approximation.Efficient self-consistent DFT calculation of nondynamic correlation based on the B05 methodPrescription for the design and selection of density functional approximations: more constraint satisfaction with fewer fits.Electric response of a metal-molecule-metal junction to laser pulse by solving hierarchical equations of motion.FeP(Im)-AB Bonding Energies Evaluated with A Large Number of Density Functionals (P = porphine, Im = imidazole, AB = CO, NO, and O(2)).Improved self-consistent and resolution-of-identity approximated Becke'05 density functional model of nondynamic electron correlation.Nonlinear electronic excitations in crystalline solids using meta-generalized gradient approximation and hybrid functional in time-dependent density functional theory.Molecular energies from an incremental fragmentation method.Modified Becke'05 method of nondynamic correlation in density functional theory with self-consistent implementation.Density-functional approach to the three-body dispersion interaction based on the exchange dipole moment.On the Stability of Cyclophane Derivates Using a Molecular Fragmentation Method.Composition dependent band offsets of ZnO and its ternary alloys.Density functional theory for transition metals and transition metal chemistry.Analytical representation of the Becke-Roussel exchange functionalPerspective: Advances and challenges in treating van der Waals dispersion forces in density functional theory.Design of exchange-correlation functionals through the correlation factor approach.Composition-dependent band gaps and indirect-direct band gap transitions of group-IV semiconductor alloys.Simple Fully Nonlocal Density Functionals for Electronic Repulsion Energy.Electronic structure and bandgap of γ-Al2O3 compound using mBJ exchange potentialA density functional for strong correlation in atoms.Efficient basis sets for non-covalent interactions in XDM-corrected density-functional theory.Density functionals for static, dynamical, and strong correlation.Many-body dispersion interactions from the exchange-hole dipole moment model.Band gaps from the Tran-Blaha modified Becke-Johnson approach: a systematic investigation.Which density functional is close to CCSD accuracy to describe geometry and interaction energy of small non-covalent dimers? A benchmark study using Gaussian09.Van der Waals interactions in solids using the exchange-hole dipole moment model.Dependence of dispersion coefficients on atomic environment.ωB97X-V: a 10-parameter, range-separated hybrid, generalized gradient approximation density functional with nonlocal correlation, designed by a survival-of-the-fittest strategy.Evaluating dispersion forces for optimization of van der Waals complexes using a non-empirical functional.Self-consistent implementation of meta-GGA functionals for the ONETEP linear-scaling electronic structure package.A benchmark for non-covalent interactions in solids.Efficient exact exchange approximations in density-functional theory.Electronic stress tensor description of chemical bonds using nonclassical bond order concept.The ionic versus metallic nature of 2D electrides: a density-functional description.Correlation functional in screened-exchange density functional theory procedures.Exploration of near the origin and the asymptotic behaviors of the Kohn-Sham kinetic energy density for two-dimensional quantum dot systems with parabolic confinement.On the PES for the interaction of an H atom with an H chemisorbate on a graphenic platelet.On the accuracy factors and computational cost of the GIAO-DFT calculation of 15 N NMR chemical shifts of amides.How important is self-consistency for the dDsC density dependent dispersion correction?
P2860
Q33612671-99BD731E-F92B-49DD-B318-48FFC8B9FCDBQ33853133-547E7EA6-F6CC-49A7-ABE2-3091D7029552Q33988745-D16E912A-6B95-4325-B28D-63A5F06C336FQ34445619-69AE6331-BC12-42A4-8E85-1C4E04F6C661Q35569368-4BA6A7E3-AB44-4798-B29C-4FA640563BB3Q35653680-227FA3C4-F069-4D18-9E3E-F21A4762C063Q35736404-05E053DA-8379-4EA9-BDFC-37683EBFF891Q35869717-E6D96101-3B9F-451F-BA2E-4CCF92DDB3D8Q35941836-615EE21E-5F94-4101-B095-7E541DF864CDQ36009156-3BFF3957-FC85-4D0B-B1DC-958B2EFE6A66Q36029881-A56DF7A9-3548-418D-9E8D-3774656B9714Q36139558-5EF06C69-CBF6-4A4F-9E69-11661B598540Q37612638-4FBB34B7-D1B5-4A56-BF68-71535A03A993Q37634975-EEDF3AA6-6998-48D3-9B73-43B263E18726Q39025382-FA22F8AA-F37D-4278-94D9-6E5FC46FAD00Q39545434-461427CF-989F-461A-B7E2-64F697D699E9Q40426028-2BBFA634-BB51-46E8-8F53-5F583DE12965Q40682474-355D5AF4-B7AF-4898-9CDE-D3C955A59356Q40964671-5500D079-21EB-42F1-912E-799BFDC08D36Q41687149-E70FCEE1-D132-4E1B-981F-28921D7D62FFQ43561799-B9945393-D349-4E7F-937D-72E15D4C675CQ43969603-3DB4A55E-2B4F-4AF6-BB4A-0939817C608BQ44117556-E6AF06F9-3B50-4B30-93D8-D90107AEDDC2Q44518093-BF65C4C8-F212-4016-A04C-D4459A829ACBQ44835933-1EF31728-FAFA-4B9D-A91D-D5BAE9A741F2Q44928524-B3FC3E46-8E80-445B-AE61-42ED77C77473Q45183654-9454F1C7-B6C0-48A2-B54F-A97CC61A103DQ45973546-83EABA37-EBE8-4E86-8301-D3F70385A2B2Q46357133-C83CCD75-D5D0-4811-8F9D-A9ABE345CE78Q46409118-F7490F4F-B581-4B97-9AD2-BD97DE772301Q46549149-EF002C71-8BEF-474B-88A4-04CBB134F15AQ46549575-358E5C07-AE28-46BA-B790-D3F17D635DD4Q46789762-8BF4EEA4-D4EC-41FB-8B51-C36EADF740E9Q47206390-EC75646D-995C-4310-A584-A633F6B7E0DAQ47663870-440174AA-4E1C-42DF-B953-5A3B97318F93Q47911658-5A04BC00-FF70-4390-82A0-FB922A65AE20Q48043143-EA268C0A-9BD5-4474-B61E-E9CC0C190926Q48113497-5A74797D-92F9-4902-81B0-6539A833861EQ48296730-E2CFCBC3-126F-4834-93E4-FB1404EA5B99Q48863673-40BFE176-8A19-41F9-ACE5-4F1590963D1D
P2860
Exchange holes in inhomogeneous systems: A coordinate-space model
description
1989 nî lūn-bûn
@nan
1989 թուականի Ապրիլին հրատարակուած գիտական յօդուած
@hyw
1989 թվականի ապրիլին հրատարակված գիտական հոդված
@hy
1989年の論文
@ja
1989年論文
@yue
1989年論文
@zh-hant
1989年論文
@zh-hk
1989年論文
@zh-mo
1989年論文
@zh-tw
1989年论文
@wuu
name
Exchange holes in inhomogeneous systems: A coordinate-space model
@ast
Exchange holes in inhomogeneous systems: A coordinate-space model
@en
Exchange holes in inhomogeneous systems: A coordinate-space model
@nl
type
label
Exchange holes in inhomogeneous systems: A coordinate-space model
@ast
Exchange holes in inhomogeneous systems: A coordinate-space model
@en
Exchange holes in inhomogeneous systems: A coordinate-space model
@nl
prefLabel
Exchange holes in inhomogeneous systems: A coordinate-space model
@ast
Exchange holes in inhomogeneous systems: A coordinate-space model
@en
Exchange holes in inhomogeneous systems: A coordinate-space model
@nl
P2860
P356
P1433
P1476
Exchange holes in inhomogeneous systems: A coordinate-space model
@en
P2093
A. D. Becke
M. R. Roussel
P2860
P304
P356
10.1103/PHYSREVA.39.3761
P407
P577
1989-04-01T00:00:00Z
1989-04-15T00:00:00Z