Title of article
Using singular value decomposition for a compact presentation and improved interpretation of the CIS wave functions
Author/Authors
Mayer، نويسنده , , I.، نويسنده ,
Issue Information
روزنامه با شماره پیاپی سال 2007
Pages
3
From page
284
To page
286
Abstract
The presentation of the wave function corresponding to an individual CIS solution can be dramatically simplified by using the singular value decomposition method: after transformation it contains no more than min(nocc, nvirt) excitations, and is dominated by one or a few ones. This should facilitate the interpretations and finding connections with the experimental spectra.
Journal title
Chemical Physics Letters
Serial Year
2007
Journal title
Chemical Physics Letters
Record number
1921535
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