Atomic orbital-based SOS-MP2 with tensor hypercontraction. I. GPU-based tensor construction and exploiting sparsity.
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Atomic orbital-based SOS-MP2 with tensor hypercontraction. II. Local tensor hypercontraction.A direct-compatible formulation of the coupled perturbed complete active space self-consistent field equations on graphical processing units.Analytical gradients for tensor hyper-contracted MP2 and SOS-MP2 on graphical processing units.Atomic-batched tensor decomposed two-electron repulsion integrals.The Laplace transformed divide-expand-consolidate resolution of the identity second-order Møller-Plesset perturbation (DEC-LT-RIMP2) theory method.
P2860
Atomic orbital-based SOS-MP2 with tensor hypercontraction. I. GPU-based tensor construction and exploiting sparsity.
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2016 nî lūn-bûn
@nan
2016年の論文
@ja
2016年論文
@yue
2016年論文
@zh-hant
2016年論文
@zh-hk
2016年論文
@zh-mo
2016年論文
@zh-tw
2016年论文
@wuu
2016年论文
@zh
2016年论文
@zh-cn
name
Atomic orbital-based SOS-MP2 w ...... ction and exploiting sparsity.
@en
Atomic orbital-based SOS-MP2 w ...... ction and exploiting sparsity.
@nl
type
label
Atomic orbital-based SOS-MP2 w ...... ction and exploiting sparsity.
@en
Atomic orbital-based SOS-MP2 w ...... ction and exploiting sparsity.
@nl
prefLabel
Atomic orbital-based SOS-MP2 w ...... ction and exploiting sparsity.
@en
Atomic orbital-based SOS-MP2 w ...... ction and exploiting sparsity.
@nl
P2860
P356
P1476
Atomic orbital-based SOS-MP2 w ...... ction and exploiting sparsity.
@en
P2093
Chenchen Song
P2860
P304
P356
10.1063/1.4948438
P407
P577
2016-05-01T00:00:00Z