Published September 1979 | Version v1
Journal article

Z-expansion of matrix elements of one-electron operators for many-electron atoms

Creators

  • 1. Harvard Univ., Cambridge, MA (USA). Center for Astrophysics

Description

Program SSTR (Substitution Sums for Transitions), computes the generalized single-particle substitution sums used in obtaining the coefficient of the second term in the Z-expansion of the matrix elements of one-electron operators in many-electron atoms. The calculations correspond in complexity to those needed for the contributions E'2 in the second-order energy, but not to those needed for E''2. The program is generalized to use one-electron operators corresponding to rsup(kk), for brevity referred to as a 'transition', from a state with quantum numbers n1l1 to state n2l2 in the presence of the n0l0 core electron. (Auth.)

Additional details

Publishing Information

Journal Title
Comput. Phys. Commun.
Journal Volume
18
Journal Issue
1
Series
Comput. Phys. Commun.
Journal Page Range
109-121
ISSN
0010-4655