Title of article
The electronic mean field configuration interaction method: II – Improving guess geminals
Author/Authors
C. and Cassam-Chenai، نويسنده , , Patrick and Granucci، نويسنده , , Giovanni، نويسنده ,
Issue Information
روزنامه با شماره پیاپی سال 2007
Pages
5
From page
151
To page
155
Abstract
The purpose of this Letter is to show that a rotation of Hartree–Fock canonical orbitals which minimizes the lowest eigenvalues of a configuration interaction calculation limited to the mono-excited configurations from a given orbital allows one to construct a better starting guess for the geminal mean field configuration interaction method.
Journal title
Chemical Physics Letters
Serial Year
2007
Journal title
Chemical Physics Letters
Record number
1923219
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