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Multi-configuration self-consistent field theory with non-orthogonal orbitals

 

作者: MargaretLowe Benston,   D.P. Chong,  

 

期刊: Molecular Physics  （Taylor Available online 1968）
卷期: Volume 14, issue 5  

页码: 449-456

 

ISSN:0026-8976

 

年代: 1968

 

DOI:10.1080/00268976800100561

 

出版商: Taylor & Francis Group

 

数据来源: Taylor

 

摘要:

The multi-configuration self-consistent field operator is derived. We then transform the orbitals into an orthonormal set and obtain pseudo-eigenvalue equations. Possible applications of these equations are discussed.

 

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