Diagrammatic perturbation theory
作者:
Stephen Wilson,
期刊:
Molecular Physics
(Taylor Available online 1978)
卷期:
Volume 35,
issue 1
页码: 1-17
ISSN:0026-8976
年代: 1978
DOI:10.1080/00268977800100011
出版商: Taylor & Francis Group
数据来源: Taylor
摘要:
The diagrammatic many-body perturbation expansion is used to calculate potential curves for the X1∑+state of the hydrogen fluoride molecule. Two reference hamiltonian operators are considered and for each of these the energy is evaluated through third order, [2/1] Padé approximants are constructed and upper bounds determined. The quality of the resulting potential curves is assessed by calculating spectroscopic constants. It is shown that the use of shifted denominators leads to inferior convergence properties.
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