Title A program library for computing pure spin–angular coefficients for one- and two-particle operators in relativistic atomic theory /
Authors Gaigalas, Gediminas
DOI 10.3390/atoms10040129
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Is Part of Atoms.. Basel : MDPI. 2022, vol. 10, iss. 4, art. no. 129, p. [1-36].. eISSN 2218-2004
Keywords [eng] complex atom ; configuration interaction ; energy level ; jj-coupling ; matrix element ; quasi-spin ; Racah algebra ; recoupling coefficients ; reduced matrix element ; second quantization ; spin-angular integration ; tensor operators ; theoretical methods
Abstract [eng] A program library for computing pure spin-angular coefficients for any one- and scalar two-particle operators is presented. The method used is based on the combination of the second quantization and quasi-spin techniques with the angular momentum theory and the method of irreducible tensorial sets. A relativistic approach is assumed. This program library is integrated in the General Relativistic Atomic Structure Package but it can be implemented in other program packages, too.
Published Basel : MDPI
Type Journal article
Language English
Publication date 2022
CC license CC license description