Record Details

AB-INITIO NONRELATIVISTIC AND RELATIVISTIC HARTREE-FOCK CALCULATIONS FOR BOTH CLOSED-SHELL AND OPEN-SHELL MOLECULES USING GTO BASIS

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Field Value
 
Title AB-INITIO NONRELATIVISTIC AND RELATIVISTIC HARTREE-FOCK CALCULATIONS FOR BOTH CLOSED-SHELL AND OPEN-SHELL MOLECULES USING GTO BASIS
 
Creator DATTA, SN
 
Subject dirac
be2
hartree-fock
dirac-hartree-fock
ab-initio
program development
 
Description 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.
 
Publisher INDIAN ACADEMY SCIENCES
 
Date 2011-08-02T00:26:47Z
2011-12-26T12:53:34Z
2011-12-27T05:40:01Z
2011-08-02T00:26:47Z
2011-12-26T12:53:34Z
2011-12-27T05:40:01Z
1993
 
Type Article
 
Identifier PRAMANA-JOURNAL OF PHYSICS, 41(4), 363-370
0304-4289
http://dx.doi.org/10.1007/BF02847400
http://dspace.library.iitb.ac.in/xmlui/handle/10054/8590
http://hdl.handle.net/10054/8590
 
Language en