Calculation of X-ray absorption near-edge structure, XANES
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资源简介：
Title of program: DLXANES
Catalogue Id: AARR_v1_0
Nature of problem
To calculate the transition rate for X-ray absorption close to threshold for condensed systems in which the local atomic arrangement may be complex (e.g. crystals with many atoms per unit cell, disordered systems, surfaces, etc.). We are concerned with the so-called X-ray absorption near-edge structure (XANES), within approximately 50 eV of the edge.
ADAPTATION SUMMARY:
Vol:Year:Page 40:1986:421
"0001 ICXANES"
"An update of DLXANES, the calculation of X-ray absorption near-edge
structur ...
Note: adaptation instructions are contained in source code
Versions of this program held in the CPC repository in Mendeley Data
AARR_v1_0; DLXANES; 10.1016/0010-4655(82)90035-2
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
