Rigorously extensive orbital-invariant renormalized perturbative triples corrections from quasi-variational coupled cluster theory.
about
Restricted Hartree Fock using complex-valued orbitals: a long-known but neglected tool in electronic structure theory.Analytic energy gradients for the orbital-optimized third-order Møller-Plesset perturbation theory.Analytic energy gradients for orbital-optimized MP3 and MP2.5 with the density-fitting approximation: An efficient implementation.Density cumulant functional theory from a unitary transformation: N-representability, three-particle correlation effects, and application to O4(+).Orbital-optimized MP2.5 and its analytic gradients: approaching CCSD(T) quality for noncovalent interactions.The extended Koopmans' theorem for orbital-optimized methods: accurate computation of ionization potentials.Orbital-optimized coupled-electron pair theory and its analytic gradients: accurate equilibrium geometries, harmonic vibrational frequencies, and hydrogen transfer reactions.Orbital-optimized linearized coupled-cluster doubles with density-fitting and Cholesky decomposition approximations: an efficient implementation.Statistical analysis of activation and reaction energies with quasi-variational coupled-cluster theory
P2860
Q41379582-C254B130-E452-40F2-8CAF-B08D6FE9F904Q46101843-11F25A32-5715-449F-A732-7EF7D6F55895Q47600427-C6731237-6919-4B7F-B89A-B348AF7E1C7AQ48832211-B9FF95DC-263D-4F3D-ACD3-D63862F01DC4Q51007033-A2C97EF1-257D-4D0B-A9FB-9140B66C269EQ51148044-1A1F5E01-C6F0-47BF-96E3-C87A7D0EC530Q51175619-23D6EB82-A96E-4736-A28F-B378A8AD6FFFQ53127739-C3C3ABE8-8B4E-49A3-B799-BB1718AC6353Q58228062-19344D78-4491-4406-8092-7E9620F58230
P2860
Rigorously extensive orbital-invariant renormalized perturbative triples corrections from quasi-variational coupled cluster theory.
description
2013 nî lūn-bûn
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2013年の論文
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2013年学术文章
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2013年学术文章
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2013年学术文章
@zh-cn
2013年学术文章
@zh-hans
2013年学术文章
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2013年学术文章
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2013年學術文章
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2013年學術文章
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name
Rigorously extensive orbital-i ...... tional coupled cluster theory.
@en
Rigorously extensive orbital-i ...... tional coupled cluster theory.
@nl
type
label
Rigorously extensive orbital-i ...... tional coupled cluster theory.
@en
Rigorously extensive orbital-i ...... tional coupled cluster theory.
@nl
prefLabel
Rigorously extensive orbital-i ...... tional coupled cluster theory.
@en
Rigorously extensive orbital-i ...... tional coupled cluster theory.
@nl
P2860
P356
P1476
Rigorously extensive orbital-i ...... tional coupled cluster theory.
@en
P2093
James B Robinson
P2860
P304
P356
10.1063/1.4791636
P407
P577
2013-02-01T00:00:00Z