322 related articles for article (PubMed ID: 15974737)
1. Analytic calculation of first-order molecular properties at the explicitly correlated second-order Moller-Plesset level: basis-set limits for the molecular quadrupole moments of BH and HF.
Kordel E; Villani C; Klopper W
J Chem Phys; 2005 Jun; 122(21):214306. PubMed ID: 15974737
[TBL] [Abstract][Full Text] [Related]
2. 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]
3. 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]
4. Explicitly correlated coupled-cluster singles and doubles method based on complete diagrammatic equations.
Shiozaki T; Kamiya M; Hirata S; Valeev EF
J Chem Phys; 2008 Aug; 129(7):071101. PubMed ID: 19044752
[TBL] [Abstract][Full Text] [Related]
5. Communications: Explicitly correlated second-order Møller-Plesset perturbation method for extended systems.
Shiozaki T; Hirata S
J Chem Phys; 2010 Apr; 132(15):151101. PubMed ID: 20423161
[TBL] [Abstract][Full Text] [Related]
6. Coupled-cluster and explicitly correlated perturbation-theory calculations of the uracil anion.
Bachorz RA; Klopper W; Gutowski M
J Chem Phys; 2007 Feb; 126(8):085101. PubMed ID: 17343472
[TBL] [Abstract][Full Text] [Related]
7. Coupled-cluster methods with perturbative inclusion of explicitly correlated terms: a preliminary investigation.
Valeev EF
Phys Chem Chem Phys; 2008 Jan; 10(1):106-13. PubMed ID: 18075688
[TBL] [Abstract][Full Text] [Related]
8. Interaction of dihydrogen with small and light molecules.
Hübner O; Klopper W
J Phys Chem A; 2007 Mar; 111(12):2426-33. PubMed ID: 17388323
[TBL] [Abstract][Full Text] [Related]
9. Relativistic corrections to electrical first-order properties using direct perturbation theory.
Stopkowicz S; Gauss J
J Chem Phys; 2008 Oct; 129(16):164119. PubMed ID: 19045259
[TBL] [Abstract][Full Text] [Related]
10. 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]
11. 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]
12. Structures and harmonic vibrational frequencies for excited states of diatomic molecules with CCSD(R12) and CCSD(F12) models.
Yang J; Hättig C
J Chem Phys; 2009 Mar; 130(12):124101. PubMed ID: 19334802
[TBL] [Abstract][Full Text] [Related]
13. Perturbative treatment of scalar-relativistic effects in coupled-cluster calculations of equilibrium geometries and harmonic vibrational frequencies using analytic second-derivative techniques.
Michauk C; Gauss J
J Chem Phys; 2007 Jul; 127(4):044106. PubMed ID: 17672680
[TBL] [Abstract][Full Text] [Related]
14. Distributed memory parallel implementation of energies and gradients for second-order Møller-Plesset perturbation theory with the resolution-of-the-identity approximation.
Hättig C; Hellweg A; Köhn A
Phys Chem Chem Phys; 2006 Mar; 8(10):1159-69. PubMed ID: 16633596
[TBL] [Abstract][Full Text] [Related]
15. 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]
16. Dual-basis second-order Moller-Plesset perturbation theory: A reduced-cost reference for correlation calculations.
Steele RP; DiStasio RA; Shao Y; Kong J; Head-Gordon M
J Chem Phys; 2006 Aug; 125(7):074108. PubMed ID: 16942323
[TBL] [Abstract][Full Text] [Related]
17. Highly accurate CCSD(R12) and CCSD(F12) optical response properties using standard triple-zeta basis sets.
Yang J; Hättig C
J Chem Phys; 2009 Aug; 131(7):074102. PubMed ID: 19708727
[TBL] [Abstract][Full Text] [Related]
18. 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]
19. 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]
20. Analysis of the errors in explicitly correlated electronic structure theory.
May AJ; Valeev E; Polly R; Manby FR
Phys Chem Chem Phys; 2005 Jul; 7(14):2710-3. PubMed ID: 16189584
[TBL] [Abstract][Full Text] [Related]
[Next] [New Search]