Bibliographic Details
| Title: |
Complexity of Dirac–Fock atom increases with atomic number |
| Authors: |
Borgoo, A.1, De Proft, F.1, Geerlings, P.1, Sen, K.D.2 sensc@uohyd.ernet.in |
| Source: |
Chemical Physics Letters. Aug2007, Vol. 444 Issue 1-3, p186-191. 6p. |
| Subjects: |
Weights & measures, Physics, Measurement, Units of measurement |
| Abstract: |
Abstract: Using the Dirac–Fock relativistic wave functions in the position space the shape complexity, , form of the statistical complexity measure due to López-Ruiz, Mancini, and Calbet and the simple two parameter complexity measure, Γ α,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 , the Dirac–Fock calculations lead to both and Γ α,β clearly displaying an increasing trend in complexity as the atomic number increases. [Copyright &y& Elsevier] |
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| Database: |
Engineering Source |
