An atomic multiconfigurational Dirac-Fock package

Published: 2 December 1980| Version 1 | DOI: 10.17632/hcthwrh7gt.1
I.P. Grant, B.J. McKenzie, P.H. Norrington, D.F. Mayers, N.C. Pyper


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)



Atomic Physics, Computational Physics