These tools will no longer be maintained as of December 31, 2024. Archived website can be found here. PubMed4Hh GitHub repository can be found here. Contact NLM Customer Service if you have questions.
248 related articles for article (PubMed ID: 18161684)
1. A dual-level state-specific time-dependent density-functional theory. Tokura S; Sato T; Tsuneda T; Nakajima T; Hirao K J Comput Chem; 2008 Jun; 29(8):1187-97. PubMed ID: 18161684 [TBL] [Abstract][Full Text] [Related]
2. Time-dependent density functional theory (TDDFT) study of the excited charge-transfer state formation of a series of aromatic donor-acceptor systems. Jamorski Jödicke C; Lüthi HP J Am Chem Soc; 2003 Jan; 125(1):252-64. PubMed ID: 12515528 [TBL] [Abstract][Full Text] [Related]
3. 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]
4. A long-range-corrected time-dependent density functional theory. Tawada Y; Tsuneda T; Yanagisawa S; Yanai T; Hirao K J Chem Phys; 2004 May; 120(18):8425-33. PubMed ID: 15267767 [TBL] [Abstract][Full Text] [Related]
5. Excited state geometry optimizations by analytical energy gradient of long-range corrected time-dependent density functional theory. Chiba M; Tsuneda T; Hirao K J Chem Phys; 2006 Apr; 124(14):144106. PubMed ID: 16626179 [TBL] [Abstract][Full Text] [Related]
6. Time-dependent density functional theory based upon the fragment molecular orbital method. Chiba M; Fedorov DG; Kitaura K J Chem Phys; 2007 Sep; 127(10):104108. PubMed ID: 17867738 [TBL] [Abstract][Full Text] [Related]
7. Hole localization in [AlO4]0 defects in silica materials. To J; Sokol AA; French SA; Kaltsoyannis N; Catlow CR J Chem Phys; 2005 Apr; 122(14):144704. PubMed ID: 15847550 [TBL] [Abstract][Full Text] [Related]
8. Efficient time-dependent density functional theory approximations for hybrid density functionals: analytical gradients and parallelization. Petrenko T; Kossmann S; Neese F J Chem Phys; 2011 Feb; 134(5):054116. PubMed ID: 21303101 [TBL] [Abstract][Full Text] [Related]
9. 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]
10. Modified regional self-interaction corrected time-dependent density functional theory for core excited-state calculations. Nakata A; Tsuneda T; Hirao K J Comput Chem; 2009 Dec; 30(16):2583-93. PubMed ID: 19373834 [TBL] [Abstract][Full Text] [Related]
11. Electronic transitions involved in the absorption spectrum and dual luminescence of tetranuclear cubane [Cu4I4(pyridine)4] cluster: a density functional theory/time-dependent density functional theory investigation. De Angelis F; Fantacci S; Sgamellotti A; Cariati E; Ugo R; Ford PC Inorg Chem; 2006 Dec; 45(26):10576-84. PubMed ID: 17173412 [TBL] [Abstract][Full Text] [Related]
12. Computation of accurate excitation energies for large organic molecules with double-hybrid density functionals. Goerigk L; Moellmann J; Grimme S Phys Chem Chem Phys; 2009 Jun; 11(22):4611-20. PubMed ID: 19475182 [TBL] [Abstract][Full Text] [Related]
13. 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]
14. A long-range-corrected density functional that performs well for both ground-state properties and time-dependent density functional theory excitation energies, including charge-transfer excited states. Rohrdanz MA; Martins KM; Herbert JM J Chem Phys; 2009 Feb; 130(5):054112. PubMed ID: 19206963 [TBL] [Abstract][Full Text] [Related]
15. Analytical time-dependent density functional derivative methods within the RI-J approximation, an approach to excited states of large molecules. Rappoport D; Furche F J Chem Phys; 2005 Feb; 122(6):064105. PubMed ID: 15740365 [TBL] [Abstract][Full Text] [Related]
16. Application of the Sakurai-Sugiura projection method to core-excited-state calculation by time-dependent density functional theory. Tsuchimochi T; Kobayashi M; Nakata A; Imamura Y; Nakai H J Comput Chem; 2008 Nov; 29(14):2311-6. PubMed ID: 18432618 [TBL] [Abstract][Full Text] [Related]
18. Vertical excitation energies for ribose and deoxyribose nucleosides. So R; Alavi S J Comput Chem; 2007 Aug; 28(11):1776-82. PubMed ID: 17342705 [TBL] [Abstract][Full Text] [Related]
19. Simultaneous benchmarking of ground- and excited-state properties with long-range-corrected density functional theory. Rohrdanz MA; Herbert JM J Chem Phys; 2008 Jul; 129(3):034107. PubMed ID: 18647016 [TBL] [Abstract][Full Text] [Related]
20. Influence of geometry relaxation on the energies of the S1 and S2 states of violaxanthin, zeaxanthin, and lutein. Dreuw A J Phys Chem A; 2006 Apr; 110(13):4592-9. PubMed ID: 16571067 [TBL] [Abstract][Full Text] [Related] [Next] [New Search]