Title of article :
Some corrections to GRASP92 Original Research Article
Author/Authors :
Charlotte Froese Fischer، نويسنده , , Gediminas Gaigalas، نويسنده , , Yuri Ralchenko، نويسنده ,
Issue Information :
دوهفته نامه با شماره پیاپی سال 2006
Abstract :
The GRASP92 package is a suite of programs for atomic structure calculations based on Dirac–Hartree–Fock theory. In this paper we report corrections that concern three issues. Corrections to a logical error are reported that affect extended optimal level (EOL) calculations important for correlation studies. The removal of a limitation on diagonal energy parameters is recommended for correlation orbitals. Another correction removes an error in the evaluation of one-electron matrix elements for tensors of rank greater than zero. This error affects electric quadrupole (E2) transition probabilities, off-diagonal hyperfine parameters, and quadrupole moments.
Keywords :
E2 transitions , Complex atoms , Transition probabilities , Relativistic effects , correlation , jj-coupled wavefunctions , atomic structure , Atomic energy levels
Journal title :
Computer Physics Communications
Journal title :
Computer Physics Communications