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.
452 related articles for article (PubMed ID: 17190550)
1. The relativistic complete active-space second-order perturbation theory with the four-component Dirac Hamiltonian. Abe M; Nakajima T; Hirao K J Chem Phys; 2006 Dec; 125(23):234110. PubMed ID: 17190550 [TBL] [Abstract][Full Text] [Related]
2. Theoretical characterization of the low-lying electronic states of NbC. Denis PA; Balasubramanian K J Chem Phys; 2005 Aug; 123(5):054318. PubMed ID: 16108650 [TBL] [Abstract][Full Text] [Related]
3. Ab initio configuration-interaction study of the ground and low-lying electronic states of NiI. Yang CL; Gao F; Zhang XY; Han KL J Chem Phys; 2005 Nov; 123(20):204308. PubMed ID: 16351257 [TBL] [Abstract][Full Text] [Related]
4. Investigation of low-lying states of oxygen molecule via second-order multireference perturbation theory: a state-specific approach. Chattopadhyay S; Mahapatra US; Chaudhuri RK J Phys Chem A; 2009 May; 113(20):5972-84. PubMed ID: 19400574 [TBL] [Abstract][Full Text] [Related]
5. Multireference composite approaches for the accurate study of ground and excited electronic states: C2, N2, and O2. Jiang W; Wilson AK J Chem Phys; 2011 Jan; 134(3):034101. PubMed ID: 21261324 [TBL] [Abstract][Full Text] [Related]
6. Relativistic calculations of ground and excited states of LiYb molecule for ultracold photoassociation spectroscopy studies. Gopakumar G; Abe M; Das BP; Hada M; Hirao K J Chem Phys; 2010 Sep; 133(12):124317. PubMed ID: 20886942 [TBL] [Abstract][Full Text] [Related]
7. Relativistic quasidegenerate perturbation theory with four-component general multiconfiguration reference functions. Miyajima M; Watanabe Y; Nakano H J Chem Phys; 2006 Jan; 124(4):044101. PubMed ID: 16460143 [TBL] [Abstract][Full Text] [Related]
8. Time-dependent four-component relativistic density-functional theory for excitation energies. II. The exchange-correlation kernel. Gao J; Zou W; Liu W; Xiao Y; Peng D; Song B; Liu C J Chem Phys; 2005 Aug; 123(5):054102. PubMed ID: 16108626 [TBL] [Abstract][Full Text] [Related]
9. Time-dependent quasirelativistic density-functional theory based on the zeroth-order regular approximation. Peng D; Zou W; Liu W J Chem Phys; 2005 Oct; 123(14):144101. PubMed ID: 16238368 [TBL] [Abstract][Full Text] [Related]
10. Relativistic internally contracted multireference electron correlation methods. Shiozaki T; Mizukami W J Chem Theory Comput; 2015 Oct; 11(10):4733-9. PubMed ID: 26574262 [TBL] [Abstract][Full Text] [Related]
11. CASSCF and CASPT2 studies on the structures, transition energies, and dipole moments of ground and excited states for azulene. Murakami A; Kobayashi T; Goldberg A; Nakamura S J Chem Phys; 2004 Jan; 120(3):1245-52. PubMed ID: 15268250 [TBL] [Abstract][Full Text] [Related]
12. Spectroscopic properties and potential energy curves of low-lying electronic states of RuC. Guo R; Balasubramanian K J Chem Phys; 2004 Apr; 120(16):7418-25. PubMed ID: 15267652 [TBL] [Abstract][Full Text] [Related]
13. Spin-orbit configuration interaction study of the electronic structure of the 5f (2) manifold of U(4+) and the 5f manifold of U(5+). Danilo C; Vallet V; Flament JP; Wahlgren U J Chem Phys; 2008 Apr; 128(15):154310. PubMed ID: 18433212 [TBL] [Abstract][Full Text] [Related]
14. Comprehensive theoretical studies on the low-lying electronic states of NiF, NiCl, NiBr, and NiI. Zou W; Liu W J Chem Phys; 2006 Apr; 124(15):154312. PubMed ID: 16674231 [TBL] [Abstract][Full Text] [Related]
15. Block correlated coupled cluster method with a complete-active-space self-consistent-field reference function: the implementation for low-lying excited states. Fang T; Shen J; Li S J Chem Phys; 2008 Dec; 129(23):234106. PubMed ID: 19102525 [TBL] [Abstract][Full Text] [Related]
16. The electronic structure of the triiodide ion from relativistic correlated calculations: a comparison of different methodologies. Gomes AS; Visscher L; Bolvin H; Saue T; Knecht S; Fleig T; Eliav E J Chem Phys; 2010 Aug; 133(6):064305. PubMed ID: 20707568 [TBL] [Abstract][Full Text] [Related]
17. Block correlated coupled cluster method with the complete active-space self-consistent-field reference function: Applications for low-lying electronic excited states. Shen J; Li S J Chem Phys; 2009 Nov; 131(17):174101. PubMed ID: 19894992 [TBL] [Abstract][Full Text] [Related]
18. Theoretical study on the low-lying electronic states of NiH and NiAt. Zou W; Liu W J Comput Chem; 2007 Nov; 28(14):2286-98. PubMed ID: 17471457 [TBL] [Abstract][Full Text] [Related]