These tools will no longer be maintained as of December 31, 2024. Archived website can be found here. PubMed4Hh GitHub repository can be found here. Contact NLM Customer Service if you have questions.
22. Resolution of identity approach for the Kohn-Sham correlation energy within the exact-exchange random-phase approximation. Bleiziffer P; Hesselmann A; Görling A J Chem Phys; 2012 Apr; 136(13):134102. PubMed ID: 22482535 [TBL] [Abstract][Full Text] [Related]
23. 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]
24. 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]
25. Theoretical thermodynamics for large molecules: walking the thin line between accuracy and computational cost. Schwabe T; Grimme S Acc Chem Res; 2008 Apr; 41(4):569-79. PubMed ID: 18324790 [TBL] [Abstract][Full Text] [Related]
26. Molecular tailoring approach in conjunction with MP2 and Ri-MP2 codes: A comparison with fragment molecular orbital method. Rahalkar AP; Katouda M; Gadre SR; Nagase S J Comput Chem; 2010 Oct; 31(13):2405-18. PubMed ID: 20652984 [TBL] [Abstract][Full Text] [Related]
27. 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]
28. 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]
29. 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]
30. 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]
31. Local explicitly correlated second-order Møller-Plesset perturbation theory with pair natural orbitals. Tew DP; Helmich B; Hättig C J Chem Phys; 2011 Aug; 135(7):074107. PubMed ID: 21861556 [TBL] [Abstract][Full Text] [Related]
32. Efficient Exploitation of Numerical Quadrature with Distance-Dependent Integral Screening in Explicitly Correlated F12 Theory: Linear Scaling Evaluation of the Most Expensive RI-MP2-F12 Term. Urban L; Laqua H; Thompson TH; Ochsenfeld C J Chem Theory Comput; 2024 May; 20(9):3706-3718. PubMed ID: 38626443 [TBL] [Abstract][Full Text] [Related]
33. Is spin-component scaled second-order Møller-Plesset perturbation theory an appropriate method for the study of noncovalent interactions in molecules? Antony J; Grimme S J Phys Chem A; 2007 Jun; 111(22):4862-8. PubMed ID: 17506533 [TBL] [Abstract][Full Text] [Related]
34. 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]
36. 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]