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A study of the ground state wave function of carbon monoxide

✍ Scribed by Albert K. Q. Siu; Ernest R. Davidson

Publisher
John Wiley and Sons
Year
1970
Tongue
English
Weight
845 KB
Volume
4
Category
Article
ISSN
0020-7608

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✦ Synopsis

Abstract

A large configuration‐interaction calculation has been performed to determine the wave function, energy, and molecular properties of CO. The most important configurations were used to obtain the natural geminals and their occupation numbers. A pair‐energy approach to the correlation energy was attempted with results which differ significantly from the configuration‐interaction results.

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