Analytic gradients for the state-specific multireference coupled cluster singles and doubles model.

Analytic gradients for the state-specific multireference coupled cluster singles and doubles model.

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http://www.wikidata.org/entity/Q39954173
Communication: spin-orbit splittings in degenerate open-shell states via Mukherjee's multireference coupled-cluster theory: a measure for the coupling contribution.Multireference Mukherjee's coupled cluster method with triexcitations in the linked formulation: Efficient implementation and applications.A Lagrange multiplier approach for excited state properties through intermediate Hamiltonian formulation of Fock space multireference coupled-cluster theory.A truncation hierarchy of coupled cluster models of strongly correlated systems based on perfect-pairing references: the singles+doubles models.Combining active-space coupled-cluster methods with moment energy corrections via the CC(P;Q) methodology, with benchmark calculations for biradical transition states.An orbital-invariant internally contracted multireference coupled cluster approach.Excited states with internally contracted multireference coupled-cluster linear response theory.Development and applications of a unitary group adapted state specific multi-reference coupled cluster theory with internally contracted treatment of inactive double excitations.Perturbative triples corrections in state-specific multireference coupled cluster theory.Potential energy surface studies via a single root multireference coupled cluster theory.Multireference coupled-cluster AnsatzDoes the 2,6-didehydropyridinium cation exist?Methylhydroxycarbene: Tunneling Control of a Chemical Reaction
P2860

Analytic gradients for the state-specific multireference coupled cluster singles and doubles model.

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http://www.wikidata.org/entity/Q39954173
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2009 nî lūn-bûn
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2009年の論文
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2009年学术文章
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2009年学术文章
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2009年学术文章
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2009年学术文章
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2009年学术文章
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2009年學術文章
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2009年學術文章
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2009年學術文章
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name
Analytic gradients for the sta ...... ter singles and doubles model.
@en
Analytic gradients for the sta ...... ter singles and doubles model.
@nl
type
label
Analytic gradients for the sta ...... ter singles and doubles model.
@en
Analytic gradients for the sta ...... ter singles and doubles model.
@nl
prefLabel
Analytic gradients for the sta ...... ter singles and doubles model.
@en
Analytic gradients for the sta ...... ter singles and doubles model.
@nl
P1433
P1476
P2093
P2860
P304
P31
P356
P407
P433
P478
P577
P698
P356
P1433
P1476
Analytic gradients for the sta ...... ter singles and doubles model.
@en
P2093
P2860
P304
P31
P356
P407
P433
P478
P577
P698