Title of article
On the quasidiabatic character of average natural orbitals
Author/Authors
Garc??a، نويسنده , , V.M. and Reguero، نويسنده , , M. and Caballol، نويسنده , , R. and Malrieu، نويسنده , , J.P.، نويسنده ,
Issue Information
روزنامه با شماره پیاپی سال 1997
Pages
7
From page
161
To page
167
Abstract
The nearly diabatic character of average natural orbitals obtained from linear combinations of density matrices associated with different states is rationalized. These orbitals may be used to build low-dimensional model spaces and effective Hamiltonians which give a nearly diabatic description of the set of interacting states.
Journal title
Chemical Physics Letters
Serial Year
1997
Journal title
Chemical Physics Letters
Record number
1771984
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