Linear-scaling atomic orbital-based second-order Møller-Plesset perturbation theory by rigorous integral screening criteria.
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Long-range-corrected hybrid density functionals including random phase approximation correlation: application to noncovalent interactions.Third-order corrections to random-phase approximation correlation energies.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.Dynamical mean-field theory from a quantum chemical perspective.Linear-scaling implementation of the direct random-phase approximation.Improved version of a local contracted configuration interaction of singles and doubles with partial inclusion of triples and quadruples.Orbital optimized double-hybrid density functionals.Explicitly correlated atomic orbital basis second order Møller-Plesset theory.Similarity-transformed perturbation theory on top of truncated local coupled cluster solutions: Theory and applications to intermolecular interactions.Optimization of the linear-scaling local natural orbital CCSD(T) method: Redundancy-free triples correction using Laplace transform.Efficient evaluation of three-center Coulomb integrals.Quartic scaling MP2 for solids: A highly parallelized algorithm in the plane wave basis.Laplace-transformed multi-reference second-order perturbation theories in the atomic and active molecular orbital basis.The Laplace transformed divide-expand-consolidate resolution of the identity second-order Møller-Plesset perturbation (DEC-LT-RIMP2) theory method.The GPU-enabled divide-expand-consolidate RI-MP2 method (DEC-RI-MP2).Local complete active space second-order perturbation theory using pair natural orbitals (PNO-CASPT2).Laplace-transformed atomic orbital-based Møller-Plesset perturbation theory for relativistic two-component Hamiltonians.Periodic local MP2 method employing orbital specific virtuals.Forces and stress in second order Møller-Plesset perturbation theory for condensed phase systems within the resolution-of-identity Gaussian and plane waves approach.Cholesky-decomposed density MP2 with density fitting: accurate MP2 and double-hybrid DFT energies for large systems.Linear-scaling symmetry-adapted perturbation theory with scaled dispersion.Large-scale symmetry-adapted perturbation theory computations via density fitting and Laplace transformation techniques: investigating the fundamental forces of DNA-intercalator interactions.Analytic energy gradient for second-order Møller-Plesset perturbation theory based on the fragment molecular orbital method.Two-level hierarchical parallelization of second-order Møller-Plesset perturbation calculations in divide-and-conquer method.An integral-factorized implementation of the driven similarity renormalization group second-order multireference perturbation theory.A reduced-scaling density matrix-based method for the computation of the vibrational Hessian matrix at the self-consistent field level.Tensor decomposition in post-Hartree-Fock methods. I. Two-electron integrals and MP2.An incremental correlation approach to excited state energies based on natural transition/localized orbitals.Complete basis set limits of local second-order Møller–Plesset perturbation theoryTheoretische Chemie 2009Linear scaling electronic structure calculations with numerical atomic basis set
P2860
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P2860
Linear-scaling atomic orbital-based second-order Møller-Plesset perturbation theory by rigorous integral screening criteria.
description
2009 nî lūn-bûn
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2009年の論文
@ja
2009年学术文章
@wuu
2009年学术文章
@zh
2009年学术文章
@zh-cn
2009年学术文章
@zh-hans
2009年学术文章
@zh-my
2009年学术文章
@zh-sg
2009年學術文章
@yue
2009年學術文章
@zh-hant
name
Linear-scaling atomic orbital- ...... s integral screening criteria.
@en
Linear-scaling atomic orbital- ...... s integral screening criteria.
@nl
type
label
Linear-scaling atomic orbital- ...... s integral screening criteria.
@en
Linear-scaling atomic orbital- ...... s integral screening criteria.
@nl
prefLabel
Linear-scaling atomic orbital- ...... s integral screening criteria.
@en
Linear-scaling atomic orbital- ...... s integral screening criteria.
@nl
P2093
P2860
P356
P1476
Linear-scaling atomic orbital- ...... s integral screening criteria.
@en
P2093
Bernd Doser
Christian Ochsenfeld
Daniel S Lambrecht
Jörg Kussmann
P2860
P304
P356
10.1063/1.3072903
P407
P577
2009-02-01T00:00:00Z