Title of article
Revisiting the foundations of symmetry operation measures for electronic wavefunctions
Author/Authors
Casanova، نويسنده , , David and Alemany، نويسنده , , Pere، نويسنده ,
Issue Information
روزنامه با شماره پیاپی سال 2011
Pages
5
From page
486
To page
490
Abstract
An extension of the continuous symmetry measures for N-electron wavefunctions is proposed in order to solve some of the problems encountered with earlier definitions for this property that appear when dealing with molecules that present quasisymmetries close to a point group with degenerate irreducible representations. The mathematical origin of these problems is analyzed and it is shown, via some examples, how the newly defined symmetry operation measures are able to overcome them and give a correct answer for any type of symmetry operation.
Journal title
Chemical Physics Letters
Serial Year
2011
Journal title
Chemical Physics Letters
Record number
1931737
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