Extensive Ab Initio Study on the Low-Lying Excited States of SiBr+ Including Spin-Orbit Coupling | Communications in Computational Chemistry

Extensive Ab Initio Study on the Low-Lying Excited States of SiBr+ Including Spin-Orbit Coupling

Authors

Hong-Sheng Zhai, Xiao-Mei Zhang & Yu-Fang Liu

DOI:

https://doi.org/10.4208/cicc.2013.v1.n4.6

Keywords:

MRCI(+Q), Spin–orbit coupling (SOC) effect, Potential energy curve (PEC), Spectroscopic constant, Predissociation.

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Published

2013-01-01

Issue

Vol. 1 No. 4 (2013)

Section

Articles