Title of article
Orthogonality constrained excited states
Author/Authors
Surjلn، نويسنده , , Péter R.، نويسنده ,
Issue Information
روزنامه با شماره پیاپی سال 2000
Pages
7
From page
120
To page
126
Abstract
Equations for excited states are derived by considering the variational problem subject to the constraint of orthogonality to a given ground state. The resulting equations can be applied to obtain optimal excited sate wave functions that remain orthogonal to multiconfigurational ground states.
Journal title
Chemical Physics Letters
Serial Year
2000
Journal title
Chemical Physics Letters
Record number
1772490
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