Atom-molecule dispersion-energy coefficients and their dependence on the intramolecular coordinate: A-H2systems
作者:
M.A. Matías,
A.J.C. Varandas,
期刊:
Molecular Physics
(Taylor Available online 1990)
卷期:
Volume 70,
issue 4
页码: 623-644
ISSN:0026-8976
年代: 1990
DOI:10.1080/00268979000102631
出版商: Taylor & Francis Group
数据来源: Taylor
摘要:
Methods for the calculation of atom-molecule dispersion coefficients are reviewed, with emphasis on approximate techniques. New results are reported for the interaction of several S-state atoms with ground-state molecular hydrogen using the Padé bounding technique. The scarcity of data for the dependence on the intramolecular coordinate imposes the use of approximate schemes to interpolate and extrapolate the dispersion coefficient for regions where it is unknown. Several approaches are suggested based on the Unsöld approximation and the Kirkwood variational method.
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