Variational calculation of the vibronic spectrum in the X2Пu electronic state of C6-

Variational calculation of the vibronic spectrum in the X2Пu electronic state of C6-

A variational approach for ab initio handling of the Renner–Teller effect in six-atomic molecules with linear equilibrium geometry is elaborated. A very simple model Hamiltonian suitable for the description of small-amplitude bending vibrations in Π electronic states of arbitrary spin multiplicity w...

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Bibliographic Details
Main Authors: Mitić Marko, Milovanović Milan, Ranković Radomir, Jerosimić Stanka, Perić Miljenko
Format: Article
Language:English
Published: Serbian Chemical Society 2018-01-01
Series:Journal of the Serbian Chemical Society
Subjects:
Renner-Teller effect
ab initio calculations
variational approach
C6-
Online Access:http://www.doiserbia.nb.rs/img/doi/0352-5139/2018/0352-51391800001M.pdf

Internet

http://www.doiserbia.nb.rs/img/doi/0352-5139/2018/0352-51391800001M.pdf

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