(Q44043326)

29 November 2017

title

Full potential energy curve for N2 by the reduced multireference coupled-cluster method (English)

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29 November 2017

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Xiangzhu Li

1

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29 November 2017

Josef Paldus

series ordinal

2

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29 November 2017

language of work or name

English

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publication date

1 August 2008

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Journal of Chemical Physics

29 November 2017

published in

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29 November 2017

volume

129

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29 November 2017

issue

5

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29 November 2017

page(s)

054104

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Correlation Problems in Atomic and Molecular Systems. IV. Extended Coupled-Pair Many-Electron Theory and Its Application to the B H 3 Molecule

29 November 2017

cites work

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Coupled-cluster theory in quantum chemistry

21 January 2018

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A fifth-order perturbation comparison of electron correlation theories

21 January 2018

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Is the mechanism of the [2+2] cycloaddition of cyclopentyne to ethylene concerted or biradical? A completely renormalized coupled cluster study

21 January 2018

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Coupled-cluster method for multideterminantal reference states

21 January 2018

1 reference

Coupling term derivation and general implementation of state-specific multireference coupled cluster theories.

21 January 2018

1 reference

Binding in transition metal complexes: Reduced multireference coupled-cluster study of the MCH2+ (M=Sc to Cu) compounds.

21 January 2018

1 reference

Reduced multireference coupled-cluster method: barrier heights for heavy atom transfer, nucleophilic substitution, association, and unimolecular reactions.

21 January 2018

1 reference

Reduced multireference coupled cluster method with singles and doubles: Perturbative corrections for triples.

21 January 2018

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An accurate analytic potential function for ground-state N2 from a direct-potential-fit analysis of spectroscopic data

21 January 2018

1 reference

Partially linearized, fully size-extensive, and reduced multireference coupled-cluster methods. I. Formalism and mutual relationship

21 January 2018

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Partially linearized, fully size-extensive, and reduced multireference coupled-cluster methods. II. Applications and performance

21 January 2018

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Gaussian basis sets for use in correlated molecular calculations. I. The atoms boron through neon and hydrogen

21 January 2018

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General atomic and molecular electronic structure system

21 January 2018

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Potential energy, Λ doubling and Born–Oppenheimer breakdown functions for the B 1Πu “barrier” state of Li2

21 January 2018

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Pulsed field-ionization photoelectron-photoion coincidence study of the process N2+hnu-->N++N+e-: bond dissociation energies of N2 and N2+.

21 January 2018

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A new potential function form incorporating extended long-range behaviour: application to ground-state Ca2

21 January 2018

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A full coupled‐cluster singles and doubles model: The inclusion of disconnected triples

21 January 2018

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A Critical Assessment of Coupled Cluster Method in Quantum Chemistry

21 January 2018

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Basis-set convergence in correlated calculations on Ne, N2, and H2O

21 January 2018

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21 January 2018

Identifiers

DOI

10.1063/1.2961033

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29 November 2017

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