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A New Approach to the Estimation of Accuracy of Calculations of Vibrational Wavefunctions and Radiative Parameters

 

作者: A.V. Stolyarov,   N.E. Kuz'menko,  

 

期刊: Spectroscopy Letters  （Taylor Available online 1985）
卷期: Volume 18, issue 9  

页码: 671-678

 

ISSN:0038-7010

 

年代: 1985

 

DOI:10.1080/00387018508062299

 

出版商: Taylor & Francis Group

 

关键词: Electronic transition;vibrational wavefunction;diatomic molecules

 

数据来源: Taylor

 

摘要:

The modified method of solving the radial Schrödinger equation, proposed earlier by the authors, is used for developing a new approach to the estimation of accuracy of calculating the vibrational wavefunction overlap integrals for diatomic molecules. Such an approach is shown to allow to separate quantitatively three major sources of errors arising in calculations of the overlap integrals.

 

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