An atomic multiconfigurational Dirac-Fock package
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https://elsevier.digitalcommonsdata.com/datasets/hcthwrh7gt
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资源简介：
Title of program: MCDF
Catalogue Id: AANC_v1_0
Nature of problem
The relativistic Dirac-Fock equations are set up and solved numerically within the framework of the multiconfiguration approximation. This provides energy eigenvalues and orbital wavefunctions that can be used to calculate various atomic properties.
ADAPTATION SUMMARY:
Vol:Year:Page 66:1991:392
"0001 CONTWV"
"Relativistic continuum wavefunction solver."
W.F. Perger; V. Karighattam
Note: adaptation instructions are contained in source code
Versions of this program held in the CPC repository in Mendeley Data
AANC_v1_0; MCDF; 10.1016/0010-4655(80)90041-7
AANC_v2_0; CONTWVG; 10.1016/0010-4655(93)90136-Z
AANC_v3_0; CONTWVSA version 1.0; 10.1016/S0010-4655(01)00208-9
This program has been imported from the CPC Program Library held at Queen's University Belfast (1969-2019)
创建时间：
2019-11-11
