Title of article
Complexity of Dirac–Fock atom increases with atomic number
Author/Authors
Borgoo، نويسنده , , A. and De Proft، نويسنده , , F. and Geerlings، نويسنده , , P. and Sen، نويسنده , , K.D.، نويسنده ,
Issue Information
روزنامه با شماره پیاپی سال 2007
Pages
6
From page
186
To page
191
Abstract
Using the Dirac–Fock relativistic wave functions in the position space the shape complexity, C LMC s , form of the statistical complexity measure due to López-Ruiz, Mancini, and Calbet and the simple two parameter complexity measure, Γα,β, proposed by Shiner, Davison and Landsberg for atoms H–Lr are calculated. A comparison with the non-relativistic Hartee–Fock results is carried out to ascertain the influence of the relativistic effects on complexity. Unlike the non-relativistic Hartree–Fock results, which lead to the non-increasing C LMC s , the Dirac–Fock calculations lead to both C LMC s and Γα,β clearly displaying an increasing trend in complexity as the atomic number increases.
Journal title
Chemical Physics Letters
Serial Year
2007
Journal title
Chemical Physics Letters
Record number
1922470
Link To Document