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Pseudopotential calculation with correlated wave functions: Potential energy curves for some small molecules

✍ Scribed by I. Tamássy-Lentei; Á. Derecskei-Kovács


Book ID
119117068
Publisher
Elsevier Science
Year
1988
Tongue
English
Weight
406 KB
Volume
167
Category
Article
ISSN
0166-1280

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In part I of this series, self-consistent calculations using two-body density functionals for correlation energy were done and applied to atomic systems, giving very good results. We now apply the same scheme to small Ž molecules. The examples studied include diatomic H , Li , B , C , N , O , F , 2