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
Link To Document :
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