Published September 1979
| Version v1
Journal article
Z-expansion of matrix elements of one-electron operators for many-electron atoms
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
INIS
- Country of Publication
- Netherlands
- Country of Input or Organization
- Netherlands
- INIS RN
- 11506484
- Subject category
- S74: ATOMIC AND MOLECULAR PHYSICS; S99: GENERAL AND MISCELLANEOUS;
- Descriptors DEI
- ATOMIC MODELS; ELECTRONIC STRUCTURE; MATRIX ELEMENTS; PERTURBATION THEORY; QUANTUM NUMBERS; QUANTUM OPERATORS; S CODES; SINGLE-PARTICLE MODEL
- Descriptors DEC
- COMPUTER CODES; MATHEMATICAL MODELS; MATHEMATICAL OPERATORS