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
Link To Document :
بازگشت