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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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