New coupled cluster approaches based on the unrestricted Hartree-Fock reference for treating molecules with multireference character.
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Doubly electron-attached and doubly ionized equation-of-motion coupled-cluster methods with 4-particle-2-hole and 4-hole-2-particle excitations and their active-space extensions.A polarizable dipole-dipole interaction model for evaluation of the interaction energies for N-H···O=C and C-H···O=C hydrogen-bonded complexes.Combining active-space coupled-cluster methods with moment energy corrections via the CC(P;Q) methodology, with benchmark calculations for biradical transition states.Hybrid coupled cluster methods: combining active space coupled cluster methods with coupled cluster singles, doubles, and perturbative triples.
P2860
New coupled cluster approaches based on the unrestricted Hartree-Fock reference for treating molecules with multireference character.
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article científic
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article scientifique
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articolo scientifico
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artigo científico
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bilimsel makale
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scientific article published on 29 March 2011
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vedecký článok
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vetenskaplig artikel
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videnskabelig artikel
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vědecký článek
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name
New coupled cluster approaches ...... with multireference character.
@en
New coupled cluster approaches ...... with multireference character.
@nl
type
label
New coupled cluster approaches ...... with multireference character.
@en
New coupled cluster approaches ...... with multireference character.
@nl
prefLabel
New coupled cluster approaches ...... with multireference character.
@en
New coupled cluster approaches ...... with multireference character.
@nl
P2093
P2860
P356
P1476
New coupled cluster approaches ...... with multireference character
@en
P2093
P2860
P304
P356
10.1039/C0CP01103G
P407
P50
P577
2011-03-29T00:00:00Z