Derivation of general analytic gradient expressions for density-fitted post-Hartree-Fock methods: an efficient implementation for the density-fitted second-order Møller-Plesset perturbation theory.
about
Four faces of the interaction between ions and aromatic rings.Analytical gradients for tensor hyper-contracted MP2 and SOS-MP2 on graphical processing units.Analytic energy gradients for orbital-optimized MP3 and MP2.5 with the density-fitting approximation: An efficient implementation.Analytic energy gradients for the coupled-cluster singles and doubles with perturbative triples method with the density-fitting approximation.MPI/OpenMP hybrid parallel algorithm for resolution of identity second-order Møller-Plesset perturbation calculation of analytical energy gradient for massively parallel multicore supercomputers.Analytic energy gradients for the coupled-cluster singles and doubles method with the density-fitting approximation.Orbital-optimized MP2.5 and its analytic gradients: approaching CCSD(T) quality for noncovalent interactions.A noniterative asymmetric triple excitation correction for the density-fitted coupled-cluster singles and doubles method: Preliminary applications.Orbital-optimized linearized coupled-cluster doubles with density-fitting and Cholesky decomposition approximations: an efficient implementation.
P2860
Q38685777-7B261272-0EAB-483F-93E7-74A420DB6D52Q46346885-B5F5AF83-573A-4528-BB21-8BDAE3FB2A8AQ47600427-6350CD78-4D48-4ACB-B03F-F6F8494AD1C1Q47743680-AB0575A7-2517-4234-A201-523DE6C55778Q47992348-08E1E38E-363A-4ACA-B137-C34EDAFAFE80Q50650781-D02EADE8-C7E3-46AC-931A-EE6D5581CF6FQ51007033-E0D16054-D74D-442E-83AF-8C0876A280AAQ53121566-407771E4-F68B-401E-BDB3-8D08D716EC62Q53127739-9F68F1CD-094C-4ED9-875D-59DEF58A65A3
P2860
Derivation of general analytic gradient expressions for density-fitted post-Hartree-Fock methods: an efficient implementation for the density-fitted second-order Møller-Plesset perturbation theory.
description
2014 nî lūn-bûn
@nan
2014年の論文
@ja
2014年学术文章
@wuu
2014年学术文章
@zh
2014年学术文章
@zh-cn
2014年学术文章
@zh-hans
2014年学术文章
@zh-my
2014年学术文章
@zh-sg
2014年學術文章
@yue
2014年學術文章
@zh-hant
name
Derivation of general analytic ...... r-Plesset perturbation theory.
@en
Derivation of general analytic ...... r-Plesset perturbation theory.
@nl
type
label
Derivation of general analytic ...... r-Plesset perturbation theory.
@en
Derivation of general analytic ...... r-Plesset perturbation theory.
@nl
prefLabel
Derivation of general analytic ...... r-Plesset perturbation theory.
@en
Derivation of general analytic ...... r-Plesset perturbation theory.
@nl
P2860
P356
P1476
Derivation of general analytic ...... r-Plesset perturbation theory.
@en
P2093
Uğur Bozkaya
P2860
P304
P356
10.1063/1.4896235
P407
P50
P577
2014-09-01T00:00:00Z