Program to calculate pure angular momentum coefficients in jj-coupling

Abstract

A program for computing pure angular momentum coefficients in relativistic atomic structure for any scalar one- and two-particle operator is presented. The program, written in Fortran 90/95 and based on techniques of second quantization, irreducible tensorial operators, quasispin and the theory of angular momentum, is intended to replace existing angular coefficient modules from GRASP92. The new module uses a different decomposition of the coefficients as sums of products of pure angular momentum coefficients, which depend only on the tensor rank of the interaction but not on its details, with effective interaction strengths of specific interactions. This saves memory and reduces the computational cost of big calculations signficantly.

References in corpus (3)

• An efficient approach for spin-angular integrations in atomic structure calculations
• On the secondly quantized theory of many-electron atom
• Calculation of reduced coefficients and matrix elements in jj-coupling

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