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.
178 related articles for article (PubMed ID: 28711065)
21. 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]
22. Laplace-transformed atomic orbital-based Møller-Plesset perturbation theory for relativistic two-component Hamiltonians. Helmich-Paris B; Repisky M; Visscher L J Chem Phys; 2016 Jul; 145(1):014107. PubMed ID: 27394099 [TBL] [Abstract][Full Text] [Related]
23. A Resolution-Of-The-Identity Implementation of the Local Triatomics-In-Molecules Model for Second-Order Møller-Plesset Perturbation Theory with Application to Alanine Tetrapeptide Conformational Energies. DiStasio RA; Jung Y; Head-Gordon M J Chem Theory Comput; 2005 Sep; 1(5):862-76. PubMed ID: 26641903 [TBL] [Abstract][Full Text] [Related]
24. Quadratically convergent algorithm for orbital optimization in the orbital-optimized coupled-cluster doubles method and in orbital-optimized second-order Møller-Plesset perturbation theory. Bozkaya U; Turney JM; Yamaguchi Y; Schaefer HF; Sherrill CD J Chem Phys; 2011 Sep; 135(10):104103. PubMed ID: 21932872 [TBL] [Abstract][Full Text] [Related]
25. Derivation and assessment of relativistic hyperfine-coupling tensors on the basis of orbital-optimized second-order Møller-Plesset perturbation theory and the second-order Douglas-Kroll-Hess transformation. Sandhoefer B; Kossmann S; Neese F J Chem Phys; 2013 Mar; 138(10):104102. PubMed ID: 23514460 [TBL] [Abstract][Full Text] [Related]
26. 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]
27. 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]
28. Resolution of the identity atomic orbital Laplace transformed second order Møller-Plesset theory for nonconducting periodic systems. Izmaylov AF; Scuseria GE Phys Chem Chem Phys; 2008 Jun; 10(23):3421-9. PubMed ID: 18535725 [TBL] [Abstract][Full Text] [Related]
29. The molecular gradient using the divide-expand-consolidate resolution of the identity second-order Møller-Plesset perturbation theory: The DEC-RI-MP2 gradient. Bykov D; Kristensen K; Kjærgaard T J Chem Phys; 2016 Jul; 145(2):024106. PubMed ID: 27421396 [TBL] [Abstract][Full Text] [Related]
30. Application of second-order Møller-Plesset perturbation theory with resolution-of-identity approximation to periodic systems. Katouda M; Nagase S J Chem Phys; 2010 Nov; 133(18):184103. PubMed ID: 21073209 [TBL] [Abstract][Full Text] [Related]
31. Efficient Method for the Computation of Frozen-Core Nuclear Gradients within the Random Phase Approximation. Drontschenko V; Graf D; Laqua H; Ochsenfeld C J Chem Theory Comput; 2022 Dec; 18(12):7359-7372. PubMed ID: 36331398 [TBL] [Abstract][Full Text] [Related]
32. Analytic energy gradients for the orbital-optimized second-order Møller-Plesset perturbation theory. Bozkaya U; Sherrill CD J Chem Phys; 2013 May; 138(18):184103. PubMed ID: 23676025 [TBL] [Abstract][Full Text] [Related]
33. Analytic energy gradients for the coupled-cluster singles and doubles with perturbative triples method with the density-fitting approximation. Bozkaya U; Sherrill CD J Chem Phys; 2017 Jul; 147(4):044104. PubMed ID: 28764345 [TBL] [Abstract][Full Text] [Related]