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.
368 related articles for article (PubMed ID: 19360796)
21. Efficient and accurate local approximations to coupled-electron pair approaches: An attempt to revive the pair natural orbital method. Neese F; Wennmohs F; Hansen A J Chem Phys; 2009 Mar; 130(11):114108. PubMed ID: 19317532 [TBL] [Abstract][Full Text] [Related]
22. An efficient method for calculating maxima of homogeneous functions of orthogonal matrices: applications to localized occupied orbitals. Subotnik JE; Shao Y; Liang W; Head-Gordon M J Chem Phys; 2004 Nov; 121(19):9220-9. PubMed ID: 15538842 [TBL] [Abstract][Full Text] [Related]
23. A simple algebraic derivation of the Obara-Saika scheme for general two-electron interaction potentials. Ahlrichs R Phys Chem Chem Phys; 2006 Jul; 8(26):3072-7. PubMed ID: 16804606 [TBL] [Abstract][Full Text] [Related]
24. Relativistic correlating basis sets for actinide atoms from 90Th to 103Lr. Noro T; Sekiya M; Osanai Y; Koga T; Matsuyama H J Comput Chem; 2007 Dec; 28(16):2511-6. PubMed ID: 17508413 [TBL] [Abstract][Full Text] [Related]
25. Density-matrix renormalization-group algorithms with nonorthogonal orbitals and non-Hermitian operators, and applications to polyenes. Chan GK; Van Voorhis T J Chem Phys; 2005 May; 122(20):204101. PubMed ID: 15945707 [TBL] [Abstract][Full Text] [Related]
26. Decomposition of density matrix renormalization group states into a Slater determinant basis. Moritz G; Reiher M J Chem Phys; 2007 Jun; 126(24):244109. PubMed ID: 17614539 [TBL] [Abstract][Full Text] [Related]
27. Optimized Jastrow-Slater wave functions for ground and excited states: application to the lowest states of ethene. Schautz F; Filippi C J Chem Phys; 2004 Jun; 120(23):10931-41. PubMed ID: 15268123 [TBL] [Abstract][Full Text] [Related]
28. Modeling positrons in molecular electronic structure calculations with the nuclear-electronic orbital method. Adamson PE; Duan XF; Burggraf LW; Pak MV; Swalina C; Hammes-Schiffer S J Phys Chem A; 2008 Feb; 112(6):1346-51. PubMed ID: 18215029 [TBL] [Abstract][Full Text] [Related]
29. Gaussian and finite-element Coulomb method for the fast evaluation of Coulomb integrals. Kurashige Y; Nakajima T; Hirao K J Chem Phys; 2007 Apr; 126(14):144106. PubMed ID: 17444700 [TBL] [Abstract][Full Text] [Related]
30. An orbital localization criterion based on the theory of "fuzzy" atoms. Alcoba DR; Lain L; Torre A; Bochicchio RC J Comput Chem; 2006 Apr; 27(5):596-608. PubMed ID: 16470667 [TBL] [Abstract][Full Text] [Related]
32. Computing the energy of a water molecule using multideterminants: a simple, efficient algorithm. Clark BK; Morales MA; McMinis J; Kim J; Scuseria GE J Chem Phys; 2011 Dec; 135(24):244105. PubMed ID: 22225142 [TBL] [Abstract][Full Text] [Related]
33. Analysis of the nuclear-electronic orbital method for model hydrogen transfer systems. Swalina C; Pak MV; Hammes-Schiffer S J Chem Phys; 2005 Jul; 123(1):014303. PubMed ID: 16035831 [TBL] [Abstract][Full Text] [Related]
34. A direct method to transform between expansions in the configuration state function and Slater determinant bases. Olsen J J Chem Phys; 2014 Jul; 141(3):034112. PubMed ID: 25053306 [TBL] [Abstract][Full Text] [Related]
35. Multi-Jastrow trial wavefunctions for electronic structure calculations with quantum Monte Carlo. Bouabça T; Braïda B; Caffarel M J Chem Phys; 2010 Jul; 133(4):044111. PubMed ID: 20687637 [TBL] [Abstract][Full Text] [Related]
36. O2-binding to heme: electronic structure and spectrum of oxyheme, studied by multiconfigurational methods. Jensen KP; Roos BO; Ryde U J Inorg Biochem; 2005 Jan; 99(1):45-54. PubMed ID: 15598490 [TBL] [Abstract][Full Text] [Related]
37. Molecular properties from variational reduced-density-matrix theory with three-particle N-representability conditions. Gidofalvi G; Mazziotti DA J Chem Phys; 2007 Jan; 126(2):024105. PubMed ID: 17228941 [TBL] [Abstract][Full Text] [Related]
38. Direct quantum dynamics using variational multi-configuration Gaussian wavepackets. Implementation details and test case. Lasorne B; Robb MA; Worth GA Phys Chem Chem Phys; 2007 Jul; 9(25):3210-27. PubMed ID: 17579730 [TBL] [Abstract][Full Text] [Related]
39. The state averaged multiconfigurational time-dependent Hartree approach: vibrational state and reaction rate calculations. Manthe U J Chem Phys; 2008 Feb; 128(6):064108. PubMed ID: 18282029 [TBL] [Abstract][Full Text] [Related]
40. The VMFCI method: a flexible tool for solving the molecular vibration problem. Cassam-Chenaï P; Liévin J J Comput Chem; 2006 Apr; 27(5):627-40. PubMed ID: 16470836 [TBL] [Abstract][Full Text] [Related] [Previous] [Next] [New Search]