Analytic Molecular Hessian Calculations for CC2 and MP2 Combined with the Resolution of Identity Approximation.
about
Optical rotation calculations on large molecules using the approximate coupled cluster model CC2 and the resolution-of-the-identity approximation.Origin-independent two-photon circular dichroism calculations in coupled cluster theory.Excited state polarizabilities for CC2 using the resolution-of-the-identity approximation.Efficient implementation of the analytic second derivatives of Hartree–Fock and hybrid DFT energies: a detailed analysis of different approximations
P2860
Analytic Molecular Hessian Calculations for CC2 and MP2 Combined with the Resolution of Identity Approximation.
description
2013 nî lūn-bûn
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2013年の論文
@ja
2013年論文
@yue
2013年論文
@zh-hant
2013年論文
@zh-hk
2013年論文
@zh-mo
2013年論文
@zh-tw
2013年论文
@wuu
2013年论文
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2013年论文
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name
Analytic Molecular Hessian Cal ...... ion of Identity Approximation.
@en
type
label
Analytic Molecular Hessian Cal ...... ion of Identity Approximation.
@en
prefLabel
Analytic Molecular Hessian Cal ...... ion of Identity Approximation.
@en
P356
P1476
Analytic Molecular Hessian Cal ...... tion of Identity Approximation
@en
P2093
Jörg Koβmann
P304
P356
10.1021/CT400034T
P577
2013-02-28T00:00:00Z