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Calculation of the Electronic States of H 2 by a Molecular-Basis Expansion Method

✍ Scribed by Igarashi, Akinori; Kuwayama, Yuuichi

Book ID
125887740
Publisher
Institute of Pure and Applied Physics
Year
2014
Tongue
English
Weight
833 KB
Volume
83
Category
Article
ISSN
0031-9015

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## Abstract The potential energy curves with respect to the bond angle are calculated for some excited and ionized states of the H~2~O and NH~3~ molecules by the use of the one‐center expansion SCF MO and the improved virtual orbital approximations. The calculated equilibrium bond angles and force