1015 related articles for article (PubMed ID: 16122289)
1. Orbital- and state-dependent functionals in density-functional theory.
Görling A
J Chem Phys; 2005 Aug; 123(6):62203. PubMed ID: 16122289
[TBL] [Abstract][Full Text] [Related]
2. Open-shell localized Hartree-Fock method based on the generalized adiabatic connection Kohn-Sham formalism for a self-consistent treatment of excited states.
Vitale V; Della Sala F; Görling A
J Chem Phys; 2005 Jun; 122(24):244102. PubMed ID: 16035741
[TBL] [Abstract][Full Text] [Related]
3. Away from generalized gradient approximation: orbital-dependent exchange-correlation functionals.
Baerends EJ; Gritsenko OV
J Chem Phys; 2005 Aug; 123(6):62202. PubMed ID: 16122288
[TBL] [Abstract][Full Text] [Related]
4. From local hybrid functionals to "localized local hybrid" potentials: formalism and thermochemical tests.
Arbuznikov AV; Kaupp M; Bahmann H
J Chem Phys; 2006 May; 124(20):204102. PubMed ID: 16774314
[TBL] [Abstract][Full Text] [Related]
5. Orbital energies and negative electron affinities from density functional theory: Insight from the integer discontinuity.
Teale AM; De Proft F; Tozer DJ
J Chem Phys; 2008 Jul; 129(4):044110. PubMed ID: 18681637
[TBL] [Abstract][Full Text] [Related]
6. Legendre-transform functionals for spin-density-functional theory.
Ayers PW; Yang W
J Chem Phys; 2006 Jun; 124(22):224108. PubMed ID: 16784264
[TBL] [Abstract][Full Text] [Related]
7. Cubic response functions in time-dependent density functional theory.
Jansik B; Sałek P; Jonsson D; Vahtras O; Agren H
J Chem Phys; 2005 Feb; 122(5):54107. PubMed ID: 15740310
[TBL] [Abstract][Full Text] [Related]
8. Ab initio correlation functionals from second-order perturbation theory.
Schweigert IV; Lotrich VF; Bartlett RJ
J Chem Phys; 2006 Sep; 125(10):104108. PubMed ID: 16999516
[TBL] [Abstract][Full Text] [Related]
9. The spin-unrestricted molecular Kohn-Sham solution and the analogue of Koopmans's theorem for open-shell molecules.
Gritsenko OV; Baerends EJ
J Chem Phys; 2004 May; 120(18):8364-72. PubMed ID: 15267759
[TBL] [Abstract][Full Text] [Related]
10. On the self-consistent implementation of general occupied-orbital dependent exchange-correlation functionals with application to the B05 functional.
Arbuznikov AV; Kaupp M
J Chem Phys; 2009 Aug; 131(8):084103. PubMed ID: 19725604
[TBL] [Abstract][Full Text] [Related]
11. Density functional theory of complex transition densities.
Ernzerhof M
J Chem Phys; 2006 Sep; 125(12):124104. PubMed ID: 17014163
[TBL] [Abstract][Full Text] [Related]
12. Double-hybrid density functional theory for excited electronic states of molecules.
Grimme S; Neese F
J Chem Phys; 2007 Oct; 127(15):154116. PubMed ID: 17949141
[TBL] [Abstract][Full Text] [Related]
13. Density functional perturbational orbital theory of spin polarization in electronic systems. I. Formalism.
Seo DK
J Chem Phys; 2006 Oct; 125(15):154105. PubMed ID: 17059237
[TBL] [Abstract][Full Text] [Related]
14. Time-dependent exchange-correlation current density functionals with memory.
Kurzweil Y; Baer R
J Chem Phys; 2004 Nov; 121(18):8731-41. PubMed ID: 15527336
[TBL] [Abstract][Full Text] [Related]
15. Efficient construction of exchange and correlation potentials by inverting the Kohn-Sham equations.
Kananenka AA; Kohut SV; Gaiduk AP; Ryabinkin IG; Staroverov VN
J Chem Phys; 2013 Aug; 139(7):074112. PubMed ID: 23968077
[TBL] [Abstract][Full Text] [Related]
16. Orbital-dependent correlation energy in density-functional theory based on a second-order perturbation approach: success and failure.
Mori-Sánchez P; Wu Q; Yang W
J Chem Phys; 2005 Aug; 123(6):62204. PubMed ID: 16122290
[TBL] [Abstract][Full Text] [Related]
17. Spin densities in two-component relativistic density functional calculations: noncollinear versus collinear approach.
Van Wüllen C
J Comput Chem; 2002 Jun; 23(8):779-85. PubMed ID: 12012354
[TBL] [Abstract][Full Text] [Related]
18. Failure of time-dependent density functional theory for long-range charge-transfer excited states: the zincbacteriochlorin-bacteriochlorin and bacteriochlorophyll-spheroidene complexes.
Dreuw A; Head-Gordon M
J Am Chem Soc; 2004 Mar; 126(12):4007-16. PubMed ID: 15038755
[TBL] [Abstract][Full Text] [Related]
19. Fluctuation-dissipation theorem density-functional theory.
Furche F; Van Voorhis T
J Chem Phys; 2005 Apr; 122(16):164106. PubMed ID: 15945671
[TBL] [Abstract][Full Text] [Related]
20. Coverage of dynamic correlation effects by density functional theory functionals: density-based analysis for neon.
Jankowski K; Nowakowski K; Grabowski I; Wasilewski J
J Chem Phys; 2009 Apr; 130(16):164102. PubMed ID: 19405556
[TBL] [Abstract][Full Text] [Related]
[Next] [New Search]
