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Introduction to the theory of electronic non-adiabatic coupling terms in molecular systems

โœ Scribed by Michael Baer


Book ID
108437423
Publisher
Elsevier Science
Year
2002
Tongue
English
Weight
553 KB
Volume
358
Category
Article
ISSN
0370-1573

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๐Ÿ“œ SIMILAR VOLUMES


Non-adiabatic effects in the generator c
โœ L. Lathouwers; P. van Leuven ๐Ÿ“‚ Article ๐Ÿ“… 1979 ๐Ÿ› Elsevier Science ๐ŸŒ English โš– 276 KB

The generator coordinate trial function is written as the adiabatic, product-type state plus a non-adiabatic contribution. Equating the resulting energy shift with the magnitude of non-adiabatic corrections gives an estimate of the width of nuclear basis states. A test calculation for a molecule-lik