Local explicitly correlated second- and third-order Møller-Plesset perturbation theory with pair natural orbitals.
about
TurbomoleSparseMaps-A systematic infrastructure for reduced scaling electronic structure methods. V. Linear scaling explicitly correlated coupled-cluster method with pair natural orbitals.SparseMaps--A systematic infrastructure for reduced-scaling electronic structure methods. IV. Linear-scaling second-order explicitly correlated energy with pair natural orbitals.Geminal-spanning orbitals make explicitly correlated reduced-scaling coupled-cluster methods robust, yet simple.A tight distance-dependent estimator for screening three-center Coulomb integrals over Gaussian basis functions.Linear-scaling explicitly correlated treatment of solids: periodic local MP2-F12 method.Explicitly correlated atomic orbital basis second order Møller-Plesset theory.Correcting density-driven errors in projection-based embedding.Efficient and accurate treatment of weak pairs in local CCSD(T) calculations.Optimization of the linear-scaling local natural orbital CCSD(T) method: Redundancy-free triples correction using Laplace transform.Perspective: Explicitly correlated electronic structure theory for complex systems.Explicitly correlated coupled-cluster theory with Brueckner orbitals.Local complete active space second-order perturbation theory using pair natural orbitals (PNO-CASPT2).Speeding up local correlation methods: System-inherent domains.Periodic local MP2 method employing orbital specific virtuals.Speeding up local correlation methods.Communication: Improved pair approximations in local coupled-cluster methods.Free-complement local-Schrödinger-equation method for solving the Schrödinger equation of atoms and molecules: basic theories and features.A hierarchy of local coupled cluster singles and doubles response methods for ionization potentials.
P2860
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P2860
Local explicitly correlated second- and third-order Møller-Plesset perturbation theory with pair natural orbitals.
description
2012 nî lūn-bûn
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2012年の論文
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2012年学术文章
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2012年学术文章
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2012年学术文章
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2012年学术文章
@zh-hans
2012年学术文章
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2012年學術文章
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name
Local explicitly correlated se ...... ry with pair natural orbitals.
@en
Local explicitly correlated se ...... ry with pair natural orbitals.
@nl
type
label
Local explicitly correlated se ...... ry with pair natural orbitals.
@en
Local explicitly correlated se ...... ry with pair natural orbitals.
@nl
prefLabel
Local explicitly correlated se ...... ry with pair natural orbitals.
@en
Local explicitly correlated se ...... ry with pair natural orbitals.
@nl
P2860
P50
P356
P1476
Local explicitly correlated se ...... ory with pair natural orbitals
@en
P2093
Benjamin Helmich
Christof Hättig
P2860
P304
P356
10.1063/1.4719981
P407
P577
2012-05-01T00:00:00Z