Title of article
Explicitly correlated energies for neutral atoms and cations with 37 ⩽ Z ⩽ 54
Author/Authors
Buendيa، نويسنده , , E. and Gلlvez، نويسنده , , F.J. and Sarsa، نويسنده , , A.، نويسنده ,
Issue Information
روزنامه با شماره پیاپی سال 2008
Pages
3
From page
190
To page
192
Abstract
The ground state of the neutral atoms Rb through Xe and their corresponding cations has been studied by using explicitly correlated wave functions in a non relativistic approach. The variational wave function has been previously used to study the neutral atoms Li through Kr and their cations. The ionization potential of these atoms has been calculated by including relativistic effects perturbatively. The calculation has been carried out by using the variational Monte Carlo method.
Journal title
Chemical Physics Letters
Serial Year
2008
Journal title
Chemical Physics Letters
Record number
1925230
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