Explicitly correlated PNO-MP2 and PNO-CCSD and their application to the S66 set and large molecular systems.
about
SparseMaps-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.Explicitly correlated second-order Møller-Plesset perturbation theory in a Divide-Expand-Consolidate (DEC) context.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.Communication: Improved pair approximations in local coupled-cluster methods.Accelerating the coupled-cluster singles and doubles method using the chain-of-sphere approximation
P2860
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P2860
Explicitly correlated PNO-MP2 and PNO-CCSD and their application to the S66 set and large molecular systems.
description
2014 nî lūn-bûn
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2014年の論文
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2014年学术文章
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2014年学术文章
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2014年学术文章
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2014年学术文章
@zh-hans
2014年学术文章
@zh-my
2014年学术文章
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2014年學術文章
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2014年學術文章
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name
Explicitly correlated PNO-MP2 ...... t and large molecular systems.
@en
Explicitly correlated PNO-MP2 ...... t and large molecular systems.
@nl
type
label
Explicitly correlated PNO-MP2 ...... t and large molecular systems.
@en
Explicitly correlated PNO-MP2 ...... t and large molecular systems.
@nl
prefLabel
Explicitly correlated PNO-MP2 ...... t and large molecular systems.
@en
Explicitly correlated PNO-MP2 ...... t and large molecular systems.
@nl
P50
P356
P1476
Explicitly correlated PNO-MP2 ...... et and large molecular systems
@en
P2093
Christof Hättig
David P Tew
P304
22167-22178
P356
10.1039/C4CP03502J
P407
P577
2014-09-12T00:00:00Z