Interactions of Excited Lithium Atom with Molecular Hydrogen. III. Orthogonality Constrained MCSCF+NCI Calculations of Potential Energy Surfaces and Electronic Wave Functions in the Potential Crossing Region
Author:
Publisher
The Chemical Society of Japan
Subject
General Chemistry
Link
https://www.jstage.jst.go.jp/article/bcsj1926/62/9/62_9_2781/_pdf
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1. A fast ab initio model for the calculation of excited electronic states of atoms and molecules in a weakly polarizable environment. I. Theory;The Journal of Chemical Physics;2000-01-15
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3. Quenching of Li ( 2 P) by H 2 : potential energy surfaces, conical intersection seam, and diabatic bases;Theoretical Chemistry Accounts: Theory, Computation, and Modeling (Theoretica Chimica Acta);1998-11-30
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