(Q60495087)

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Coupled-cluster singles, doubles and triples (CCSDT) calculations of atomization energies

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Coupled-cluster singles, doubles and triples (CCSDT) calculations of atomization energies (English)

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4

Trygve Helgaker

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Poul Jørgensen

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2

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Poul Jørgensen

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author name string

Keld L Bak

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1

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Jeppe Olsen

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3

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Jürgen Gauss

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5

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publication date

January 2000

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published in

Chemical Physics Letters

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volume

317

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issue

1-2

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page(s)

116-122

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cites work

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

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7 January 2021

A fifth-order perturbation comparison of electron correlation theories

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7 January 2021

Ab initio total atomization energies of small molecules — towards the basis set limit

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7 January 2021

The prediction of molecular equilibrium structures by the standard electronic wave functions

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7 January 2021

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

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7 January 2021

Gaussian basis sets for use in correlated molecular calculations. VI. Sextuple zeta correlation consistent basis sets for boron through neon

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7 January 2021

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

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7 January 2021

Basis-set convergence of correlated calculations on water

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7 January 2021

Coupled-cluster methods with internal and semi-internal triply and quadruply excited clusters: CCSDt and CCSDtq approaches

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7 January 2021

A direct atomic orbital driven implementation of the coupled cluster singles and doubles (CCSD) model

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7 January 2021

The integral‐direct coupled cluster singles and doubles model

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7 January 2021

The molecular structure of ferrocene

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Towards standard methods for benchmark quality ab initio thermochemistry—W1 and W2 theory

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7 January 2021

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DOI

10.1016/S0009-2614(99)01315-9

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(Q60495087)

Coupled-cluster singles, doubles and triples (CCSDT) calculations of atomization energies

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