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Pseudo-potential evaluation of the ground-state potential curves for the Cl2 and Br2 molecules

✍ Scribed by G. Das

Publisher
Elsevier Science
Year
1981
Tongue
English
Weight
371 KB
Volume
79
Category
Article
ISSN
0009-2614

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✦ Synopsis

The electronrc wavefunctlons and potential tunes for the ground states of the Cl2 and Brz molecules are calculated usmg pseudo-potent& techmques The agreement with experunent for both molecules IS sattiactory For Cl2 all-electron calcuhtlons are also performed as a study of the accuracy of the pseudo-potentxxl approach to bound states

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