Title of article
Dipole moments in excited state DFT calculations
Author/Authors
Amos، نويسنده , , Roger D، نويسنده ,
Issue Information
روزنامه با شماره پیاپی سال 2002
Pages
4
From page
612
To page
615
Abstract
A comparison is made between dipole moments calculated with and without the relaxation terms in the one-particle density matrix in excited state DFT calculations. It is concluded that there is a significant difference, and that results which do not include relaxation effects should not be used.
Journal title
Chemical Physics Letters
Serial Year
2002
Journal title
Chemical Physics Letters
Record number
1782326
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