| Issue |
J. Phys. IV France
Volume 01, Number C1, Mars 1991
Third Atomic Data Workshop
|
|
|---|---|---|
| Page(s) | C1-33 - C1-46 | |
| DOI | https://doi.org/10.1051/jp4:1991104 | |
Third Atomic Data Workshop
J. Phys. IV France 01 (1991) C1-33-C1-46
DOI: 10.1051/jp4:1991104
University of Oxford, Department of Theoretical Chemistry, 5 South Parks Road, GB-Oxford, OX1 3UB, Great-Britain
© EDP Sciences 1991
J. Phys. IV France 01 (1991) C1-33-C1-46
DOI: 10.1051/jp4:1991104
SOFTWARE FOR RELATIVISTIC ATOMIC THEORY : THE GRASP PROJECT AT OXFORD
F.A. PARPIA and I.P. GRANTUniversity of Oxford, Department of Theoretical Chemistry, 5 South Parks Road, GB-Oxford, OX1 3UB, Great-Britain
Résumé
GRASP est l'acronyme de General-purpose Relativistic Atomic Structure Program. Ce progiciel est essentiellement un code Dirac-Fock multiconfigurationnel (MCDF) convivial basé sur l'algèbre de Racah et les méthodes de différences finies. Nous décrivons ici brièvement le formalisme MCDF dans le contexte du projet GRASP à Oxford.
Abstract
GRASP is an acronym for General-purpose Relativistic Atomic Structure Program. This package is essentially a user-friendly multiconfiguration Dirac-Fock (MCDF) code based on the Racah Algebra and finite-difference methods. We describe briefly the MCDF formalism in the context of the GRASP project at Oxford.
© EDP Sciences 1991