Lanthanide crystal field fitting routine
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资源简介：
Title of program: CRYSTAL FIELD AND G VALUE
Catalogue Id: ACAB_v1_0
Nature of problem
The electronic states of paramagnetic ions in crystals are split by the electric field from other ions. These splittings may be fitted by a suitable choice of crystal field parameters. The routine performs this fit and outputs a comparison of experimental and theoretical energies, and also (as required) g-values and wavefunctions for the crystal field states.
Versions of this program held in the CPC repository in Mendeley Data
ACAB_v1_0; CRYSTAL FIELD AND G VALUE; 10.1016/0010-4655(71)90052-X
This program has been imported from the CPC Program Library held at Queen's University Belfast (1969-2018)
创建时间：
2019-11-11
