393 related articles for article (PubMed ID: 15260600)
1. Analytical energy gradients for local second-order Møller-Plesset perturbation theory using density fitting approximations.
Schütz M; Werner HJ; Lindh R; Manby FR
J Chem Phys; 2004 Jul; 121(2):737-50. PubMed ID: 15260600
[TBL] [Abstract][Full Text] [Related]
2. 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]
3. Periodic local Møller-Plesset second order perturbation theory method applied to molecular crystals: study of solid NH3 and CO2 using extended basis sets.
Maschio L; Usvyat D; Schütz M; Civalleri B
J Chem Phys; 2010 Apr; 132(13):134706. PubMed ID: 20387953
[TBL] [Abstract][Full Text] [Related]
4. 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]
5. An efficient local coupled cluster method for accurate thermochemistry of large systems.
Werner HJ; Schütz M
J Chem Phys; 2011 Oct; 135(14):144116. PubMed ID: 22010707
[TBL] [Abstract][Full Text] [Related]
6. A kinetic energy fitting metric for resolution of the identity second-order Møller-Plesset perturbation theory.
Lambrecht DS; Brandhorst K; Miller WH; McCurdy CW; Head-Gordon M
J Phys Chem A; 2011 Apr; 115(13):2794-801. PubMed ID: 21391690
[TBL] [Abstract][Full Text] [Related]
7. Auxiliary basis sets for density fitting second-order Møller-Plesset perturbation theory: correlation consistent basis sets for the 5d elements Hf-Pt.
Hill JG
J Chem Phys; 2011 Jul; 135(4):044105. PubMed ID: 21806088
[TBL] [Abstract][Full Text] [Related]
8. An improved algorithm for analytical gradient evaluation in resolution-of-the-identity second-order Møller-Plesset perturbation theory: application to alanine tetrapeptide conformational analysis.
Distasio RA; Steele RP; Rhee YM; Shao Y; Head-Gordon M
J Comput Chem; 2007 Apr; 28(5):839-56. PubMed ID: 17219361
[TBL] [Abstract][Full Text] [Related]
9. 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]
10. 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]
11. 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]
12. Cooperative versus dispersion effects: what is more important in an associated liquid such as water?
Kirchner B
J Chem Phys; 2005 Nov; 123(20):204116. PubMed ID: 16351249
[TBL] [Abstract][Full Text] [Related]
13. 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]
14. 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]
15. Well-balanced basis sets for second-order Møller-Plesset treatment of argon-aromatic molecule complexes.
Makarewicz J
J Chem Phys; 2004 Nov; 121(18):8755-68. PubMed ID: 15527339
[TBL] [Abstract][Full Text] [Related]
16. Analytical energy gradients for explicitly correlated wave functions. I. Explicitly correlated second-order Møller-Plesset perturbation theory.
Győrffy W; Knizia G; Werner HJ
J Chem Phys; 2017 Dec; 147(21):214101. PubMed ID: 29221401
[TBL] [Abstract][Full Text] [Related]
17. Density-functional theory-symmetry-adapted intermolecular perturbation theory with density fitting: a new efficient method to study intermolecular interaction energies.
Hesselmann A; Jansen G; Schütz M
J Chem Phys; 2005 Jan; 122(1):14103. PubMed ID: 15638638
[TBL] [Abstract][Full Text] [Related]
18. 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]
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. 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]
[Next] [New Search]