242 related articles for article (PubMed ID: 16526841)
1. Explicitly correlated local second-order perturbation theory with a frozen geminal correlation factor.
Manby FR; Werner HJ; Adler TB; May AJ
J Chem Phys; 2006 Mar; 124(9):94103. PubMed ID: 16526841
[TBL] [Abstract][Full Text] [Related]
2. Explicitly correlated second-order perturbation theory using density fitting and local approximations.
Werner HJ; Manby FR
J Chem Phys; 2006 Feb; 124(5):054114. PubMed ID: 16468858
[TBL] [Abstract][Full Text] [Related]
3. Combining explicitly correlated R12 and Gaussian geminal electronic structure theories.
Valeev EF
J Chem Phys; 2006 Dec; 125(24):244106. PubMed ID: 17199339
[TBL] [Abstract][Full Text] [Related]
4. Local explicitly correlated second-order perturbation theory for the accurate treatment of large molecules.
Adler TB; Werner HJ; Manby FR
J Chem Phys; 2009 Feb; 130(5):054106. PubMed ID: 19206957
[TBL] [Abstract][Full Text] [Related]
5. Impact of local and density fitting approximations on harmonic vibrational frequencies.
Hrenar T; Rauhut G; Werner HJ
J Phys Chem A; 2006 Feb; 110(5):2060-4. PubMed ID: 16451043
[TBL] [Abstract][Full Text] [Related]
6. Extrapolating MP2 and CCSD explicitly correlated correlation energies to the complete basis set limit with first and second row correlation consistent basis sets.
Hill JG; Peterson KA; Knizia G; Werner HJ
J Chem Phys; 2009 Nov; 131(19):194105. PubMed ID: 19929044
[TBL] [Abstract][Full Text] [Related]
7. General orbital invariant MP2-F12 theory.
Werner HJ; Adler TB; Manby FR
J Chem Phys; 2007 Apr; 126(16):164102. PubMed ID: 17477584
[TBL] [Abstract][Full Text] [Related]
8. A comparison of linear and nonlinear correlation factors for basis set limit Møller-Plesset second order binding energies and structures of He2, Be2, and Ne2.
Tew DP; Klopper W
J Chem Phys; 2006 Sep; 125(9):094302. PubMed ID: 16965075
[TBL] [Abstract][Full Text] [Related]
9. Application of Gaussian-type geminals in local second-order Møller-Plesset perturbation theory.
Polly R; Werner HJ; Dahle P; Taylor PR
J Chem Phys; 2006 Jun; 124(23):234107. PubMed ID: 16821907
[TBL] [Abstract][Full Text] [Related]
10. Second-order Møller-Plesset theory with linear R12 terms (MP2-R12) revisited: auxiliary basis set method and massively parallel implementation.
Valeev EF; Janssen CL
J Chem Phys; 2004 Jul; 121(3):1214-27. PubMed ID: 15260663
[TBL] [Abstract][Full Text] [Related]
11. Slater-type geminals in explicitly-correlated perturbation theory: application to n-alkanols and analysis of errors and basis-set requirements.
Höfener S; Bischoff FA; Glöss A; Klopper W
Phys Chem Chem Phys; 2008 Jun; 10(23):3390-9. PubMed ID: 18535722
[TBL] [Abstract][Full Text] [Related]
12. Intermolecular potentials of the silane dimer calculated with Hartree-Fock theory, Møller-Plesset perturbation theory, and density functional theory.
Pai CC; Li AH; Chao SD
J Phys Chem A; 2007 Nov; 111(46):11922-9. PubMed ID: 17963367
[TBL] [Abstract][Full Text] [Related]
13. Simple coupled-cluster singles and doubles method with perturbative inclusion of triples and explicitly correlated geminals: The CCSD(T)R12 model.
Valeev EF; Daniel Crawford T
J Chem Phys; 2008 Jun; 128(24):244113. PubMed ID: 18601323
[TBL] [Abstract][Full Text] [Related]
14. Eliminating the domain error in local explicitly correlated second-order Møller-Plesset perturbation theory.
Werner HJ
J Chem Phys; 2008 Sep; 129(10):101103. PubMed ID: 19044900
[TBL] [Abstract][Full Text] [Related]
15. Explicitly correlated combined coupled-cluster and perturbation methods.
Shiozaki T; Valeev EF; Hirata S
J Chem Phys; 2009 Jul; 131(4):044118. PubMed ID: 19655848
[TBL] [Abstract][Full Text] [Related]
16. An explicitly correlated second order Møller-Plesset theory using a frozen Gaussian geminal.
May AJ; Manby FR
J Chem Phys; 2004 Sep; 121(10):4479-85. PubMed ID: 15332877
[TBL] [Abstract][Full Text] [Related]
17. Calculating stacking interactions in nucleic acid base-pair steps using spin-component scaling and local second order Møller-Plesset perturbation theory.
Hill JG; Platts JA
Phys Chem Chem Phys; 2008 May; 10(19):2785-91. PubMed ID: 18464995
[TBL] [Abstract][Full Text] [Related]
18. 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]
19. Variational formulation of perturbative explicitly-correlated coupled-cluster methods.
Torheyden M; Valeev EF
Phys Chem Chem Phys; 2008 Jun; 10(23):3410-20. PubMed ID: 18535724
[TBL] [Abstract][Full Text] [Related]
20. Performance of spin-component-scaled Møller-Plesset theory (SCS-MP2) for potential energy curves of noncovalent interactions.
Takatani T; David Sherrill C
Phys Chem Chem Phys; 2007 Dec; 9(46):6106-14. PubMed ID: 18167585
[TBL] [Abstract][Full Text] [Related]
[Next] [New Search]
