Title of article
Improved definition of bond orders for correlated wave functions
Author/Authors
Mayer، نويسنده , , I.، نويسنده ,
Issue Information
روزنامه با شماره پیاپی سال 2012
Pages
4
From page
83
To page
86
Abstract
The definition of bond orders for singlet correlated wave functions is improved by adding a term providing the correct dissociation behaviour if the system dissociates into open-shell fragments.
Journal title
Chemical Physics Letters
Serial Year
2012
Journal title
Chemical Physics Letters
Record number
1933557
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