Density functionals from many-body perturbation theory: The band gap for semiconductors and insulators
about
Correlation potentials for molecular bond dissociation within the self-consistent random phase approximation.Kohn-Sham band gaps and potentials of solids from the optimised effective potential method within the random phase approximation.Exact exchange-correlation potential of an ionic Hubbard model with a free surfaceAccurate Kohn-Sham ionization potentials from scaled-opposite-spin second-order optimized effective potential methods.Understanding band gaps of solids in generalized Kohn-Sham theoryHow close are the Slater and Becke-Roussel potentials in solids?Image states at the interface with a dipolar organic semiconductor.Band gaps from the Tran-Blaha modified Becke-Johnson approach: a systematic investigation.Perspective on density functional theory.Directly patching high-level exchange-correlation potential based on fully determined optimized effective potentials.From the Kohn-Sham band gap to the fundamental gap in solids. An integer electron approach.Fundamental gaps with approximate density functionals: the derivative discontinuity revealed from ensemble considerations.Restoration of the derivative discontinuity in Kohn-Sham density functional theory: an efficient scheme for energy gap correction.Orbital-dependent second-order scaled-opposite-spin correlation functionals in the optimized effective potential method.Efficient self-consistent treatment of electron correlation within the random phase approximation.The van der Waals interactions in rare-gas dimers: the role of interparticle interactions.Unraveling the luminescence signatures of chemical defects in polyethylene.Correlation energy functional and potential from time-dependent exact-exchange theory.First-principles approach to noncollinear magnetism: towards spin dynamics.Localized exchange-correlation potential from second-order self-energy for accurate Kohn-Sham energy gap.Random-phase-approximation-based correlation energy functionals: benchmark results for atoms.Hubbard-Ucorrected Hamiltonians for non-self-consistent random-phase approximation total-energy calculations: A study of ZnS,TiO2, and NiOEffect of spatial nonlocality on the density functional band gapKohn-Sham potential with discontinuity for band gap materialsReduced-density-matrix-functional theory at finite temperature: Theoretical foundationsDiscontinuous functional for linear-response time-dependent density-functional theory: The exact-exchange kernel and approximate formsDiscontinuity of the chemical potential in reduced-density-matrix-functional theory for open-shell systemsMolecular bonding with the RPAx: From weak dispersion forces to strong correlationCorrelation potential in density functional theory at the GWA level: Spherical atomsDensity-based mixing parameter for hybrid functionals
P2860
Q30318202-27419BF2-70A6-455D-BCA1-F0CD0152E83EQ35089818-8A6A3D7A-0942-4E69-994E-6C431516F4C7Q36998703-9E08BDB8-989F-43BF-AECA-745B611E8114Q39644553-88BB45D3-20A0-415C-89AD-58901A81074CQ41749873-3027AF9A-C472-4F85-BDC2-B69BCDB840D8Q41885126-995755D3-1A1F-48FD-8BC8-EF65908CFFC9Q44171867-0C361C11-8808-499D-8FF4-B7F1A54EFC27Q44835933-84580C4B-3346-498B-B2D7-20EA5053FC6EQ46493223-F87B096B-4DE0-451B-BB52-EF79378277F1Q47570083-E9224673-F594-4B0F-BBAE-120F9918EE31Q48596183-4A4A7F71-9652-4D5C-A88D-E0725DF35F43Q48863624-673741F8-90C3-46C3-B36B-F445784BD8B4Q49011805-EC6AC3DE-0C4E-4ED8-B59E-69B2B66A2DBCQ51066939-5D7246A5-75F4-4C4B-B1B1-93FB68B15713Q51167304-050DB2DF-A5A0-4348-B08E-44D6C227EEDFQ51572811-B59221CF-F2FE-4A43-A835-052A518B14B2Q51700015-CB43661F-45BD-4214-8397-FBBFD1F4C1B6Q51725597-74A27114-6BFA-4692-B82E-69FC4421D0EDQ51908736-5BEC3262-3448-41A4-AD11-6CEBB1AF9D56Q51912628-A3002495-BB25-48F2-B99F-FEC2876D382EQ52922151-CFBFF0C2-4DAF-4AEA-B49D-66D2833283D5Q55084747-F9C7E32C-4507-4C05-85FF-E08F513A16E5Q57394976-DE776A5C-52EF-4FF3-93B8-F5D3D797F415Q57599720-B65D04B7-E5F3-4D7C-BFB6-921380A9BE82Q57604520-53525D20-D8B2-4CA0-851D-682B0E451E24Q57604565-43455C35-8B99-4C2B-9BE9-6B61DA379479Q57604725-B45AFB99-3FC3-402A-BA3C-AE3887C8E3B0Q57614500-FD98F0F4-9973-4003-8401-7B15ADF59667Q57614512-F4F8D531-6F51-49CB-94E7-A51B84DBD75BQ57796033-FE6EF8E9-B5DB-4D1C-89FD-2BAFFF111998
P2860
Density functionals from many-body perturbation theory: The band gap for semiconductors and insulators
description
im April 2006 veröffentlichter wissenschaftlicher Artikel
@de
wetenschappelijk artikel
@nl
наукова стаття, опублікована у квітні 2006
@uk
name
Density functionals from many- ...... semiconductors and insulators
@en
Density functionals from many- ...... semiconductors and insulators
@nl
type
label
Density functionals from many- ...... semiconductors and insulators
@en
Density functionals from many- ...... semiconductors and insulators
@nl
prefLabel
Density functionals from many- ...... semiconductors and insulators
@en
Density functionals from many- ...... semiconductors and insulators
@nl
P2860
P50
P356
P1476
Density functionals from many- ...... semiconductors and insulators
@en
P2860
P304
P356
10.1063/1.2189226
P407
P577
2006-04-21T00:00:00Z