dorsal/arxiv
View SchemaCalculation of reduced coefficients and matrix elements in jj-coupling
| Authors | G. Gaigalas, S. Fritzsche |
|---|---|
| Categories | |
| ArXiv ID | physics/0405128 |
| URL | https://arxiv.org/abs/physics/0405128 |
| DOI | 10.1016/S0010-4655(00)00176-4 |
| Journal | Comput. Phys. Commun. 134 (2001) 86-96 |
Abstract
A program RCFP will be presented for calculating standard quantities in the decomposition of many-electron matrix elements in atomic structure theory. The list of quantities wich are supported by the present program includes the coefficients of fractional parentage, the reduced coefficients of fractional parentage, the reduced matrix elements of the unit operator T^{(k)} as well as the completely reduced matrix elements of the operator W^{(k_jk_q)} in jj-coupling. These quantities are now available for all subshells (nj) with j \leq 9/2 including partially filled 9/2-shells. Our program is based on a recently developed new approach on the spin-angular integration which combines second quantization and quasispin methods with the theory of angular momentum in order to obtain a more efficient evaluation of many-electron matrix elements. An underlying Fortran 90/95 module can directly be used also in (other) atomic structure codes to accelerate the computation for open-shell atoms and ions.
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"abstract": "A program RCFP will be presented for calculating standard quantities in the\ndecomposition of many-electron matrix elements in atomic structure theory. The\nlist of quantities wich are supported by the present program includes the\ncoefficients of fractional parentage, the reduced coefficients of fractional\nparentage, the reduced matrix elements of the unit operator T^{(k)} as well as\nthe completely reduced matrix elements of the operator W^{(k_jk_q)} in\njj-coupling. These quantities are now available for all subshells (nj) with j\n\\leq 9/2 including partially filled 9/2-shells. Our program is based on a\nrecently developed new approach on the spin-angular integration which combines\nsecond quantization and quasispin methods with the theory of angular momentum\nin order to obtain a more efficient evaluation of many-electron matrix\nelements. An underlying Fortran 90/95 module can directly be used also in\n(other) atomic structure codes to accelerate the computation for open-shell\natoms and ions.",
"arxiv_id": "physics/0405128",
"authors": [
"G. Gaigalas",
"S. Fritzsche"
],
"categories": [
"physics.atom-ph",
"physics.comp-ph"
],
"doi": "10.1016/S0010-4655(00)00176-4",
"journal_ref": "Comput. Phys. Commun. 134 (2001) 86-96",
"title": "Calculation of reduced coefficients and matrix elements in jj-coupling",
"url": "https://arxiv.org/abs/physics/0405128"
},
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