期刊
COMPUTER PHYSICS COMMUNICATIONS
卷 180, 期 11, 页码 2041-2065出版社
ELSEVIER
DOI: 10.1016/j.cpc.2009.06.007
关键词
Atomic structure; B-spline R-matrix method; Close-coupling approximation; Correlation; Photoionization; Rydberg series; Transition probabilities
Theoretical results of high accuracy can be obtained using B-spline R-matrix methods implemented in BSR codes. These require a description of targets and perturbers that include correlation. They can be computed efficiently using the multi-configuration Hartree-Fock (MCHF) program. This write-up describes the computational procedure for determining a variety of atomic properties by combining these two codes. Special attention is given to the calculation of transition probabilities for Rydberg series and to photoionization cross-sections. (C) 2009 Elsevier B.V. All rights reserved.
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