Cholesky-decomposed density MP2 with density fitting: accurate MP2 and double-hybrid DFT energies for large systems.
about
Communication: A reduced scaling J-engine based reformulation of SOS-MP2 using graphics processing units.Communication: An effective linear-scaling atomic-orbital reformulation of the random-phase approximation using a contracted double-Laplace transformation.The Laplace transformed divide-expand-consolidate resolution of the identity second-order Møller-Plesset perturbation (DEC-LT-RIMP2) theory method.Low-scaling first-order properties within second-order Møller-Plesset perturbation theory using Cholesky decomposed density matrices.Local complete active space second-order perturbation theory using pair natural orbitals (PNO-CASPT2).A reduced-scaling density matrix-based method for the computation of the vibrational Hessian matrix at the self-consistent field level.
P2860
Cholesky-decomposed density MP2 with density fitting: accurate MP2 and double-hybrid DFT energies for large systems.
description
2014 nî lūn-bûn
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name
Cholesky-decomposed density MP ...... FT energies for large systems.
@en
Cholesky-decomposed density MP ...... FT energies for large systems.
@nl
type
label
Cholesky-decomposed density MP ...... FT energies for large systems.
@en
Cholesky-decomposed density MP ...... FT energies for large systems.
@nl
prefLabel
Cholesky-decomposed density MP ...... FT energies for large systems.
@en
Cholesky-decomposed density MP ...... FT energies for large systems.
@nl
P2093
P2860
P356
P1476
Cholesky-decomposed density MP ...... FT energies for large systems.
@en
P2093
Christian Ochsenfeld
Lucien Clin
Simon A Maurer
P2860
P304
P356
10.1063/1.4881144
P407
P577
2014-06-01T00:00:00Z