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|Title:||AB-INITIO NONRELATIVISTIC AND RELATIVISTIC HARTREE-FOCK CALCULATIONS FOR BOTH CLOSED-SHELL AND OPEN-SHELL MOLECULES USING GTO BASIS|
|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.|
|Appears in Collections:||Article|
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