Ab initio treatment of the Renner-Teller effect in tetra-atomic molecules undergoing large amplitude bending vibrations

• Published in: Chemical physics Vol. 225; no. 1; pp. 63 - 76
• Main Authors: Perić, M., Ostojić, B., Schäfer, B., Engels, B.
• Format: Journal Article
• Language: English
• Published: Elsevier B.V 15.12.1997

The ab initio approach for handling the Renner-Teller effect in tetra-atomic molecules we derived in previous work is generalized to asymmetric molecules undergoing large-amplitude bending vibrations. The results of test calculations on the X 2Π u state of B 2H 2 + are presented.