๐”– Bobbio Scriptorium
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Channel coupling theory of molecular structure: Explanation and elimination of unphysical results

โœ Scribed by W.K. Ford; J. Shertzer; F.S. Levin

Book ID
103022747
Publisher
Elsevier Science
Year
1983
Tongue
English
Weight
483 KB
Volume
96
Category
Article
ISSN
0009-2614

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โœฆ Synopsis

Earlier (LCAO) structure calculations for HG ungerade and Hz triplet states based on the channel coupling array (CCA) theory of many-particle collisions have yielded unphysical potential energy curves. It is shown herein for H; that this is a result of not requiring the CCA wavefunction components to obey a certain boundary condition. A simple ansatz obeying this condition is constructed and shown to yield a physically correct. approximate u_ngerade potential energy. Collision problems involving three or more particles

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