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Please use this identifier to cite or link to this item: http://dspace.library.iitb.ac.in/jspui/handle/10054/8590

Title: AB-INITIO NONRELATIVISTIC AND RELATIVISTIC HARTREE-FOCK CALCULATIONS FOR BOTH CLOSED-SHELL AND OPEN-SHELL MOLECULES USING GTO BASIS
Authors: DATTA, SN
Keywords: dirac
be2
Issue Date: 1993
Publisher: INDIAN ACADEMY SCIENCES
Citation: PRAMANA-JOURNAL OF PHYSICS, 41(4), 363-370
Abstract: Computer programs for ab-initio Hartree-Fock and Dirac-Fock calculations on closed- and open-shell atoms and molecules have been indigenously developed. Sample results of high quality are given for Li, Be, LiH and Be-2. As a byproduct of the elusive bound-state structure of Be-2 is clearly indicated.
URI: http://dx.doi.org/10.1007/BF02847400
http://dspace.library.iitb.ac.in/xmlui/handle/10054/8590
http://hdl.handle.net/10054/8590
ISSN: 0304-4289
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