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Proceedings Paper

State-specific perturbational treatment for correlation energy of open-shell systems
Author(s): V. N. Glushkov; Artyom Y. Tsaune
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Paper Abstract

A new version of many-body perturbation theory (MBPT) based on the parent molecular orbitals (MOs) and the basis sets adjusted to each individual state is developed. Excitation energies computed by this MBPT are in good agreement with large-scale configuration interaction (CI) results.

Paper Details

Date Published: 3 March 1997
PDF: 5 pages
Proc. SPIE 3090, 12th Symposium and School on High-Resolution Molecular Spectroscopy, (3 March 1997); doi: 10.1117/12.267737
Show Author Affiliations
V. N. Glushkov, Dnepropetrovsk State Univ. (Ukraine)
Artyom Y. Tsaune, Dnepropetrovsk State Univ. (Ukraine)

Published in SPIE Proceedings Vol. 3090:
12th Symposium and School on High-Resolution Molecular Spectroscopy
Leonid N. Sinitsa; Yurii N. Ponomarev; Valery I. Perevalov, Editor(s)

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