TY - JOUR
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.
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U2 - 10.1016/0009-2614(89)87056-3
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 -