362 related articles for article (PubMed ID: 17718602)
1. Alternative linear-scaling methodology for the second-order Møller-Plesset perturbation calculation based on the divide-and-conquer method.
Kobayashi M; Imamura Y; Nakai H
J Chem Phys; 2007 Aug; 127(7):074103. PubMed ID: 17718602
[TBL] [Abstract][Full Text] [Related]
2. Second-order Møller-Plesset perturbation energy obtained from divide-and-conquer Hartree-Fock density matrix.
Kobayashi M; Akama T; Nakai H
J Chem Phys; 2006 Nov; 125(20):204106. PubMed ID: 17144689
[TBL] [Abstract][Full Text] [Related]
3. Extension of linear-scaling divide-and-conquer-based correlation method to coupled cluster theory with singles and doubles excitations.
Kobayashi M; Nakai H
J Chem Phys; 2008 Jul; 129(4):044103. PubMed ID: 18681630
[TBL] [Abstract][Full Text] [Related]
4. An effective energy gradient expression for divide-and-conquer second-order Møller-Plesset perturbation theory.
Kobayashi M; Nakai H
J Chem Phys; 2013 Jan; 138(4):044102. PubMed ID: 23387563
[TBL] [Abstract][Full Text] [Related]
5. Divide-and-conquer-based linear-scaling approach for traditional and renormalized coupled cluster methods with single, double, and noniterative triple excitations.
Kobayashi M; Nakai H
J Chem Phys; 2009 Sep; 131(11):114108. PubMed ID: 19778101
[TBL] [Abstract][Full Text] [Related]
6. Linear-scaling atomic orbital-based second-order Møller-Plesset perturbation theory by rigorous integral screening criteria.
Doser B; Lambrecht DS; Kussmann J; Ochsenfeld C
J Chem Phys; 2009 Feb; 130(6):064107. PubMed ID: 19222267
[TBL] [Abstract][Full Text] [Related]
7. Two-level hierarchical parallelization of second-order Møller-Plesset perturbation calculations in divide-and-conquer method.
Katouda M; Kobayashi M; Nakai H; Nagase S
J Comput Chem; 2011 Oct; 32(13):2756-64. PubMed ID: 21732389
[TBL] [Abstract][Full Text] [Related]
8. Energy-based automatic determination of buffer region in the divide-and-conquer second-order Møller-Plesset perturbation theory.
Fujimori T; Kobayashi M; Taketsugu T
J Comput Chem; 2021 Apr; 42(9):620-629. PubMed ID: 33534916
[TBL] [Abstract][Full Text] [Related]
9. An atomic orbital-based reformulation of energy gradients in second-order Møller-Plesset perturbation theory.
Schweizer S; Doser B; Ochsenfeld C
J Chem Phys; 2008 Apr; 128(15):154101. PubMed ID: 18433184
[TBL] [Abstract][Full Text] [Related]
10. Hybrid correlation models based on active-space partitioning: correcting second-order Moller-Plesset perturbation theory for bond-breaking reactions.
Bochevarov AD; Sherrill CD
J Chem Phys; 2005 Jun; 122(23):234110. PubMed ID: 16008433
[TBL] [Abstract][Full Text] [Related]
11. Molecular gradient for second-order Møller-Plesset perturbation theory using the divide-expand-consolidate (DEC) scheme.
Kristensen K; Jørgensen P; Jansík B; Kjærgaard T; Reine S
J Chem Phys; 2012 Sep; 137(11):114102. PubMed ID: 22998244
[TBL] [Abstract][Full Text] [Related]
12. A hybrid scheme for the resolution-of-the-identity approximation in second-order Møller-Plesset linear-r(12) perturbation theory.
Klopper W
J Chem Phys; 2004 Jun; 120(23):10890-5. PubMed ID: 15268119
[TBL] [Abstract][Full Text] [Related]
13. Hybrid correlation models based on active-space partitioning: seeking accurate O(N5) ab initio methods for bond breaking.
Bochevarov AD; Temelso B; Sherrill CD
J Chem Phys; 2006 Aug; 125(5):054109. PubMed ID: 16942205
[TBL] [Abstract][Full Text] [Related]
14. Divide-and-conquer local correlation approach to the correlation energy of large molecules.
Li W; Li S
J Chem Phys; 2004 Oct; 121(14):6649-57. PubMed ID: 15473720
[TBL] [Abstract][Full Text] [Related]
15. The divide-expand-consolidate family of coupled cluster methods: numerical illustrations using second order Møller-Plesset perturbation theory.
Høyvik IM; Kristensen K; Jansik B; Jørgensen P
J Chem Phys; 2012 Jan; 136(1):014105. PubMed ID: 22239767
[TBL] [Abstract][Full Text] [Related]
16. Cholesky-decomposed densities in Laplace-based second-order Møller-Plesset perturbation theory.
Zienau J; Clin L; Doser B; Ochsenfeld C
J Chem Phys; 2009 May; 130(20):204112. PubMed ID: 19485442
[TBL] [Abstract][Full Text] [Related]
17. Second order Møller-Plesset perturbation theory based upon the fragment molecular orbital method.
Fedorov DG; Kitaura K
J Chem Phys; 2004 Aug; 121(6):2483-90. PubMed ID: 15281845
[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. Scaled opposite-spin second order Møller-Plesset correlation energy: an economical electronic structure method.
Jung Y; Lochan RC; Dutoi AD; Head-Gordon M
J Chem Phys; 2004 Nov; 121(20):9793-802. PubMed ID: 15549852
[TBL] [Abstract][Full Text] [Related]
20. Logarithm second-order many-body perturbation method for extended systems.
Ohnishi YY; Hirata S
J Chem Phys; 2010 Jul; 133(3):034106. PubMed ID: 20649307
[TBL] [Abstract][Full Text] [Related]
[Next] [New Search]
