(Q51098094)

29 March 2018

title

Second-order Møller-Plesset perturbation energy obtained from divide-and-conquer Hartree-Fock density matrix. (English)

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author

Hiromi Nakai

series ordinal

3

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author name string

Masato Kobayashi

series ordinal

1

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Tomoko Akama

series ordinal

2

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language of work or name

English

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publication date

1 November 2006

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Journal of Chemical Physics

published in

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volume

125

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issue

20

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page(s)

204106

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Efficient recursive computation of molecular integrals over Cartesian Gaussian functions

cites work

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Computation of electron repulsion integrals involving contracted Gaussian basis functions

21 January 2018

1 reference

The prism algorithm for two-electron integrals

21 January 2018

1 reference

New recurrence relations for the rapid evaluation of electron repulsion integrals based on the accompanying coordinate expansion formula.

21 January 2018

1 reference

Direct calculation of electron density in density-functional theory

21 January 2018

1 reference

A localized basis that allows fast and accurate second-order Moller-Plesset calculations

21 January 2018

1 reference

General atomic and molecular electronic structure system

21 January 2018

1 reference

Self‐Consistent Molecular‐Orbital Methods. I. Use of Gaussian Expansions of Slater‐Type Atomic Orbitals

21 January 2018

1 reference

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

21 January 2018

1 reference

Use of approximate integrals in ab initio theory. An application in MP2 energy calculations

21 January 2018

1 reference

Large-scale correlated electronic structure calculations: the RI-MP2 method on parallel computers

21 January 2018

1 reference

RI-MP2: first derivatives and global consistency

21 January 2018

1 reference

Nineteen Dubious Ways to Compute the Exponential of a Matrix, Twenty-Five Years Later

21 January 2018

1 reference

Linear scaling computation of the Hartree–Fock exchange matrix

21 January 2018

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Linear scaling computation of the Fock matrix. II. Rigorous bounds on exchange integrals and incremental Fock build

21 January 2018

1 reference

Linear scaling computation of the Fock matrix. IV. Multipole accelerated formation of the exchange matrix

21 January 2018

1 reference

Self-consistent molecular orbital methods. 21. Small split-valence basis sets for first-row elements

21 January 2018

1 reference

Coupled‐cluster theory employing approximate integrals: An approach to avoid the input/output and storage bottlenecks

21 January 2018

1 reference

21 January 2018

Identifiers

DOI

10.1063/1.2388261

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