342 related articles for article (PubMed ID: 15267758)
1. Excitation energies for a benchmark set of molecules obtained within time-dependent current-density functional theory using the Vignale-Kohn functional.
van Faassen M; de Boeij PL
J Chem Phys; 2004 May; 120(18):8353-63. PubMed ID: 15267758
[TBL] [Abstract][Full Text] [Related]
2. Excitation energies from time-dependent density-functional theory beyond the adiabatic approximation.
Ullrich CA; Burke K
J Chem Phys; 2004 Jul; 121(1):28-35. PubMed ID: 15260519
[TBL] [Abstract][Full Text] [Related]
3. Excitation energies of pi-conjugated oligomers within time-dependent current-density-functional theory.
van Faassen M; de Boeij PL
J Chem Phys; 2004 Dec; 121(21):10707-14. PubMed ID: 15549956
[TBL] [Abstract][Full Text] [Related]
4. Ultranonlocality in time-dependent current-density-functional theory: application to conjugated polymers.
van Faassen M; de Boeij PL; van Leeuwen R; Berger JA; Snijders JG
Phys Rev Lett; 2002 May; 88(18):186401. PubMed ID: 12005703
[TBL] [Abstract][Full Text] [Related]
5. Relativistic two-component formulation of time-dependent current-density functional theory: application to the linear response of solids.
Romaniello P; de Boeij PL
J Chem Phys; 2007 Nov; 127(17):174111. PubMed ID: 17994811
[TBL] [Abstract][Full Text] [Related]
6. Vibronic coupling and double excitations in linear response time-dependent density functional calculations: dipole-allowed states of N2.
Neugebauer J; Baerends EJ; Nooijen M
J Chem Phys; 2004 Oct; 121(13):6155-66. PubMed ID: 15446909
[TBL] [Abstract][Full Text] [Related]
7. Time dependent density functional study of the photoionization dynamics of SF6.
Stener M; Toffoli D; Fronzoni G; Decleva P
J Chem Phys; 2006 Mar; 124(11):114306. PubMed ID: 16555887
[TBL] [Abstract][Full Text] [Related]
8. Double excitation effect in non-adiabatic time-dependent density functional theory with an analytic construction of the exchange-correlation kernel in the common energy denominator approximation.
Gritsenko OV; Baerends EJ
Phys Chem Chem Phys; 2009 Jun; 11(22):4640-6. PubMed ID: 19475185
[TBL] [Abstract][Full Text] [Related]
9. A well-tempered density functional theory of electrons in molecules.
Livshits E; Baer R
Phys Chem Chem Phys; 2007 Jun; 9(23):2932-41. PubMed ID: 17551616
[TBL] [Abstract][Full Text] [Related]
10. Density-functional theory with effective potential expressed as a direct mapping of the external potential: applications to atomization energies and ionization potentials.
Glushkov VN; Fesenko SI
J Chem Phys; 2006 Dec; 125(23):234111. PubMed ID: 17190551
[TBL] [Abstract][Full Text] [Related]
11. Influence of molecular geometry, exchange-correlation functional, and solvent effects in the modeling of vertical excitation energies in phthalocyanines using time-dependent density functional theory (TDDFT) and polarized continuum model TDDFT methods: can modern computational chemistry methods explain experimental controversies?
Nemykin VN; Hadt RG; Belosludov RV; Mizuseki H; Kawazoe Y
J Phys Chem A; 2007 Dec; 111(50):12901-13. PubMed ID: 18004829
[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. Orthogonality constrained density functional theory for electronic excited states.
Evangelista FA; Shushkov P; Tully JC
J Phys Chem A; 2013 Aug; 117(32):7378-92. PubMed ID: 23590595
[TBL] [Abstract][Full Text] [Related]
14. The role of relativity in the optical response of gold within the time-dependent current-density-functional theory.
Romaniello P; de Boeij PL
J Chem Phys; 2005 Apr; 122(16):164303. PubMed ID: 15945680
[TBL] [Abstract][Full Text] [Related]
15. Excitation energies from spin-restricted ensemble-referenced Kohn-Sham method: a state-average approach.
Kazaryan A; Heuver J; Filatov M
J Phys Chem A; 2008 Dec; 112(50):12980-8. PubMed ID: 18616234
[TBL] [Abstract][Full Text] [Related]
16. The merits of the frozen-density embedding scheme to model solvatochromic shifts.
Neugebauer J; Louwerse MJ; Baerends EJ; Wesolowski TA
J Chem Phys; 2005 Mar; 122(9):094115. PubMed ID: 15836120
[TBL] [Abstract][Full Text] [Related]
17. Asymptotic correction of the exchange-correlation kernel of time-dependent density functional theory for long-range charge-transfer excitations.
Gritsenko O; Baerends EJ
J Chem Phys; 2004 Jul; 121(2):655-60. PubMed ID: 15260591
[TBL] [Abstract][Full Text] [Related]
18. Second-order Kohn-Sham perturbation theory: correlation potential for atoms in a cavity.
Jiang H; Engel E
J Chem Phys; 2005 Dec; 123(22):224102. PubMed ID: 16375465
[TBL] [Abstract][Full Text] [Related]
19. Calculation of nonadiabatic couplings with restricted open-shell Kohn-Sham density-functional theory.
Billeter SR; Egli D
J Chem Phys; 2006 Dec; 125(22):224103. PubMed ID: 17176130
[TBL] [Abstract][Full Text] [Related]
20. Comparative studies of the spectroscopy of CuCl2: DFT versus standard ab initio approaches.
Ramírez-Solís A; Poteau R; Vela A; Daudey JP
J Chem Phys; 2005 Apr; 122(16):164306. PubMed ID: 15945683
[TBL] [Abstract][Full Text] [Related]
[Next] [New Search]