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

Ludwik Adamowicz, Joe Kurtz

Research output: Contribution to journalArticlepeer-review

13 Scopus citations

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, Be, of 0.08442 cm-1.

Original languageEnglish (US)
Pages (from-to)342-348
Number of pages7
JournalChemical Physics Letters
Volume162
Issue number4-5
DOIs
StatePublished - Oct 20 1989

ASJC Scopus subject areas

  • Physics and Astronomy(all)
  • Physical and Theoretical Chemistry

Fingerprint Dive into the research topics of 'Theoretical studies of C<sub>5</sub> with first-order correlation orbitals and the coupled cluster method'. Together they form a unique fingerprint.

Cite this