255 related articles for article (PubMed ID: 23425461)
1. Explicitly correlated atomic orbital basis second order Møller-Plesset theory.
Hollman DS; Wilke JJ; Schaefer HF
J Chem Phys; 2013 Feb; 138(6):064107. PubMed ID: 23425461
[TBL] [Abstract][Full Text] [Related]
2. Efficient distance-including integral screening in linear-scaling Møller-Plesset perturbation theory.
Maurer SA; Lambrecht DS; Kussmann J; Ochsenfeld C
J Chem Phys; 2013 Jan; 138(1):014101. PubMed ID: 23298022
[TBL] [Abstract][Full Text] [Related]
3. 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]
4. On the accuracy of explicitly correlated coupled-cluster interaction energies--have orbital results been beaten yet?
Patkowski K
J Chem Phys; 2012 Jul; 137(3):034103. PubMed ID: 22830679
[TBL] [Abstract][Full Text] [Related]
5. Linear-scaling symmetry-adapted perturbation theory with scaled dispersion.
Maurer SA; Beer M; Lambrecht DS; Ochsenfeld C
J Chem Phys; 2013 Nov; 139(18):184104. PubMed ID: 24320251
[TBL] [Abstract][Full Text] [Related]
6. 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]
7. 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]
8. 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]
9. Linear scaling explicitly correlated MP2-F12 and ONIOM methods for the long-range interactions of the nanoscale clusters in methanol aqueous solutions.
Li W
J Chem Phys; 2013 Jan; 138(1):014106. PubMed ID: 23298027
[TBL] [Abstract][Full Text] [Related]
10. Tighter multipole-based integral estimates and parallel implementation of linear-scaling AO-MP2 theory.
Doser B; Lambrecht DS; Ochsenfeld C
Phys Chem Chem Phys; 2008 Jun; 10(23):3335-44. PubMed ID: 18535715
[TBL] [Abstract][Full Text] [Related]
11. 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]
12. Accurate calculations of intermolecular interaction energies using explicitly correlated wave functions.
Marchetti O; Werner HJ
Phys Chem Chem Phys; 2008 Jun; 10(23):3400-9. PubMed ID: 18535723
[TBL] [Abstract][Full Text] [Related]
13. SparseMaps--A systematic infrastructure for reduced-scaling electronic structure methods. IV. Linear-scaling second-order explicitly correlated energy with pair natural orbitals.
Pavošević F; Pinski P; Riplinger C; Neese F; Valeev EF
J Chem Phys; 2016 Apr; 144(14):144109. PubMed ID: 27083710
[TBL] [Abstract][Full Text] [Related]
14. Scalable Electron Correlation Methods. 2. Parallel PNO-LMP2-F12 with Near Linear Scaling in the Molecular Size.
Ma Q; Werner HJ
J Chem Theory Comput; 2015 Nov; 11(11):5291-304. PubMed ID: 26574323
[TBL] [Abstract][Full Text] [Related]
15. Communications: Intramolecular basis set superposition error as a measure of basis set incompleteness: can one reach the basis set limit without extrapolation?
Balabin RM
J Chem Phys; 2010 Jun; 132(21):211103. PubMed ID: 20528011
[TBL] [Abstract][Full Text] [Related]
16. 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]
17. Local explicitly correlated second- and third-order Møller-Plesset perturbation theory with pair natural orbitals.
Hättig C; Tew DP; Helmich B
J Chem Phys; 2012 May; 136(20):204105. PubMed ID: 22667538
[TBL] [Abstract][Full Text] [Related]
18. Approaching the theoretical limit in periodic local MP2 calculations with atomic-orbital basis sets: the case of LiH.
Usvyat D; Civalleri B; Maschio L; Dovesi R; Pisani C; Schütz M
J Chem Phys; 2011 Jun; 134(21):214105. PubMed ID: 21663342
[TBL] [Abstract][Full Text] [Related]
19. 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]
20. Scalable electron correlation methods I.: PNO-LMP2 with linear scaling in the molecular size and near-inverse-linear scaling in the number of processors.
Werner HJ; Knizia G; Krause C; Schwilk M; Dornbach M
J Chem Theory Comput; 2015 Feb; 11(2):484-507. PubMed ID: 26580908
[TBL] [Abstract][Full Text] [Related]
[Next] [New Search]