Strongly contracted canonical transformation theory (Q43185955)

15 November 2017

Strongly contracted canonical transformation theory (English)

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15 November 2017

canonical transformation

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Eric Neuscamman

1

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15 November 2017

Takeshi Yanai

series ordinal

2

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15 November 2017

Garnet Kin-Lic Chan

series ordinal

3

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15 November 2017

language of work or name

English

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publication date

1 January 2010

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Journal of Chemical Physics

15 November 2017

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15 November 2017

132

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15 November 2017

2

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15 November 2017

024106

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Introduction of n-electron valence states for multireference perturbation theory

15 November 2017

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Configuration interaction calculations on the nitrogen molecule

21 January 2018

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Multireference correlation in long molecules with the quadratic scaling density matrix renormalization group.

21 January 2018

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Orbital optimization in the density matrix renormalization group, with applications to polyenes and beta-carotene.

21 January 2018

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Density matrix renormalization group calculations on relative energies of transition metal complexes and clusters.

21 January 2018

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Canonical transformation theory from extended normal ordering.

21 January 2018

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Direct determination of the quantum-mechanical density matrix using the density equation.

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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PSI3: an open-source Ab Initio electronic structure package

21 January 2018

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Density-functional thermochemistry. III. The role of exact exchange

21 January 2018

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The self‐consistent electron pairs method for multiconfiguration reference state functions

21 January 2018

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An efficient internally contracted multiconfiguration–reference configuration interaction method

21 January 2018

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An efficient method for the evaluation of coupling coefficients in configuration interaction calculations

21 January 2018

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n-electron valence state perturbation theory: A spinless formulation and an efficient implementation of the strongly contracted and of the partially contracted variants

21 January 2018

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A Critical Assessment of Coupled Cluster Method in Quantum Chemistry

21 January 2018

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The restricted active space followed by second-order perturbation theory method: Theory and application to the study of CuO2 and Cu2O2 systems

21 January 2018

1 reference

21 January 2018

Identifiers

DOI

10.1063/1.3274822

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15 November 2017

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