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 :
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