Theoretical studies of C5 with first-order correlation orbitals and the coupled cluster method

Ludwik Adamowicz; Joe Kurtz

doi:10.1016/0009-2614(89)87056-3

Theoretical studies of C₅ with first-order correlation orbitals and the coupled cluster method

Ludwik Adamowicz, Joe Kurtz

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Abstract

The many-body perturbation theory and the coupled cluster method with first-order correlation orbitals are used to study the structure of the linear C₅ molecule. Calculations produce the equilibrium geometry with the outer and inner bond lengths equal to 1.294 and 1.287 Å, respectively. This corresponds to the equilibrium rotation constant, B_e, of 0.08442 cm^-1.

Original language	English (US)
Pages (from-to)	342-348
Number of pages	7
Journal	Chemical Physics Letters
Volume	162
Issue number	4-5
DOIs	https://doi.org/10.1016/0009-2614(89)87056-3
State	Published - Oct 20 1989

ASJC Scopus subject areas

General Physics and Astronomy
Physical and Theoretical Chemistry

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10.1016/0009-2614(89)87056-3

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title = "Theoretical studies of C5 with first-order correlation orbitals and the coupled cluster method",

abstract = "The many-body perturbation theory and the coupled cluster method with first-order correlation orbitals are used to study the structure of the linear C5 molecule. Calculations produce the equilibrium geometry with the outer and inner bond lengths equal to 1.294 and 1.287 {\AA}, respectively. This corresponds to the equilibrium rotation constant, Be, of 0.08442 cm-1.",

author = "Ludwik Adamowicz and Joe Kurtz",

year = "1989",

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T1 - Theoretical studies of C5 with first-order correlation orbitals and the coupled cluster method

AU - Adamowicz, Ludwik

AU - Kurtz, Joe

PY - 1989/10/20

Y1 - 1989/10/20

N2 - The many-body perturbation theory and the coupled cluster method with first-order correlation orbitals are used to study the structure of the linear C5 molecule. Calculations produce the equilibrium geometry with the outer and inner bond lengths equal to 1.294 and 1.287 Å, respectively. This corresponds to the equilibrium rotation constant, Be, of 0.08442 cm-1.

AB - The many-body perturbation theory and the coupled cluster method with first-order correlation orbitals are used to study the structure of the linear C5 molecule. Calculations produce the equilibrium geometry with the outer and inner bond lengths equal to 1.294 and 1.287 Å, respectively. This corresponds to the equilibrium rotation constant, Be, of 0.08442 cm-1.

UR - https://www.scopus.com/pages/publications/4243280209

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DO - 10.1016/0009-2614(89)87056-3

M3 - Article

AN - SCOPUS:4243280209

SN - 0009-2614

VL - 162

SP - 342

EP - 348

JO - Chemical Physics Letters

JF - Chemical Physics Letters

IS - 4-5

ER -

Theoretical studies of C₅ with first-order correlation orbitals and the coupled cluster method

Abstract

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