114 related articles for article (PubMed ID: 36948803)
1. Further investigations into a Laplace MP2 method using range separated Coulomb potential and orbital selective virtuals: Multipole correction, OSV extrapolation, and critical assessment.
Demel O; Lecours MJ; Nooijen M
J Chem Phys; 2023 Mar; 158(11):114120. PubMed ID: 36948803
[TBL] [Abstract][Full Text] [Related]
2. Toward Laplace MP2 method using range separated Coulomb potential and orbital selective virtuals.
Demel O; Lecours MJ; Habrovský R; Nooijen M
J Chem Phys; 2021 Oct; 155(15):154104. PubMed ID: 34686052
[TBL] [Abstract][Full Text] [Related]
3. Optimization of orbital-specific virtuals in local Møller-Plesset perturbation theory.
Kurashige Y; Yang J; Chan GK; Manby FR
J Chem Phys; 2012 Mar; 136(12):124106. PubMed ID: 22462834
[TBL] [Abstract][Full Text] [Related]
4. Periodic local MP2 method employing orbital specific virtuals.
Usvyat D; Maschio L; Schütz M
J Chem Phys; 2015 Sep; 143(10):102805. PubMed ID: 26373998
[TBL] [Abstract][Full Text] [Related]
5. Sparsity of the electron repulsion integral tensor using different localized virtual orbital representations in local second-order Møller-Plesset theory.
Wang Z; Aldossary A; Head-Gordon M
J Chem Phys; 2023 Feb; 158(6):064105. PubMed ID: 36792513
[TBL] [Abstract][Full Text] [Related]
6. Sparse maps—A systematic infrastructure for reduced-scaling electronic structure methods. I. An efficient and simple linear scaling local MP2 method that uses an intermediate basis of pair natural orbitals.
Pinski P; Riplinger C; Valeev EF; Neese F
J Chem Phys; 2015 Jul; 143(3):034108. PubMed ID: 26203015
[TBL] [Abstract][Full Text] [Related]
7. 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]
8. 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]
9. Complete OSV-MP2 Analytical Gradient Theory for Molecular Structure and Dynamics Simulations.
Zhou R; Liang Q; Yang J
J Chem Theory Comput; 2020 Jan; 16(1):196-210. PubMed ID: 31815490
[TBL] [Abstract][Full Text] [Related]
10. Efficient and accurate treatment of weak pairs in local CCSD(T) calculations.
Masur O; Usvyat D; Schütz M
J Chem Phys; 2013 Oct; 139(16):164116. PubMed ID: 24182013
[TBL] [Abstract][Full Text] [Related]
11. A local second-order Møller-Plesset method with localized orbitals: a parallelized efficient electron correlation method.
Nakao Y; Hirao K
J Chem Phys; 2004 Apr; 120(14):6375-80. PubMed ID: 15267526
[TBL] [Abstract][Full Text] [Related]
12. Laplace-transformed multi-reference second-order perturbation theories in the atomic and active molecular orbital basis.
Helmich-Paris B; Knecht S
J Chem Phys; 2017 Jun; 146(22):224101. PubMed ID: 29166042
[TBL] [Abstract][Full Text] [Related]
13. 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]
14. Scalable Electron Correlation Methods. 3. Efficient and Accurate Parallel Local Coupled Cluster with Pair Natural Orbitals (PNO-LCCSD).
Schwilk M; Ma Q; Köppl C; Werner HJ
J Chem Theory Comput; 2017 Aug; 13(8):3650-3675. PubMed ID: 28661673
[TBL] [Abstract][Full Text] [Related]
15. On the use of Abelian point group symmetry in density-fitted local MP2 using various types of virtual orbitals.
Köppl C; Werner HJ
J Chem Phys; 2015 Apr; 142(16):164108. PubMed ID: 25933753
[TBL] [Abstract][Full Text] [Related]
16. Efficient low-scaling computation of NMR shieldings at the second-order Møller-Plesset perturbation theory level with Cholesky-decomposed densities and an attenuated Coulomb metric.
Glasbrenner M; Vogler S; Ochsenfeld C
J Chem Phys; 2021 Dec; 155(22):224107. PubMed ID: 34911319
[TBL] [Abstract][Full Text] [Related]
17. Implementation of Laplace Transformed MP2 for Periodic Systems With Numerical Atomic Orbitals.
Shang H; Yang J
Front Chem; 2020; 8():589992. PubMed ID: 33240850
[TBL] [Abstract][Full Text] [Related]
18. Laplace transformed MP2 for three dimensional periodic materials using stochastic orbitals in the plane wave basis and correlated sampling.
Schäfer T; Ramberger B; Kresse G
J Chem Phys; 2018 Feb; 148(6):064103. PubMed ID: 29448777
[TBL] [Abstract][Full Text] [Related]
19. The orbital-specific virtual local triples correction: OSV-L(T).
Schütz M; Yang J; Chan GK; Manby FR; Werner HJ
J Chem Phys; 2013 Feb; 138(5):054109. PubMed ID: 23406100
[TBL] [Abstract][Full Text] [Related]
20. Scalable Electron Correlation Methods. 6. Local Spin-Restricted Open-Shell Second-Order Møller-Plesset Perturbation Theory Using Pair Natural Orbitals: PNO-RMP2.
Krause C; Werner HJ
J Chem Theory Comput; 2019 Feb; 15(2):987-1005. PubMed ID: 30571916
[TBL] [Abstract][Full Text] [Related]
[Next] [New Search]
