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Electric dipole moment of diatomic molecules by configuration interaction. V - Two states of /2/Sigma/+/ symmetry in CN.Previous accurate dipole moment calculation techniques are modified to be applicable to higher excited states of symmetry. The self-consistent fields and configuration interactions are calculated for the X(2)Sigma(+) and B(2)Sigma(+) states of CN. Spin hyperfine constants and spin density at the nucleus are considered in the context of one-electron operator properties. The values of the self-consistent field and configuration interaction for the spin density are compared with experimental values for several diatomic molecules.
Document ID
19730030014
Document Type
Reprint (Version printed in journal)
External Source(s)
Authors
Green, S. (NASA Goddard Institute for Space Studies New York, N.Y., United States)
Date Acquired
August 7, 2013
Publication Date
December 1, 1972
Publication Information
Publication: Journal of Chemical Physics
Volume: 57
Subject Category
PHYSICS, ATOMIC, MOLECULAR, AND NUCLEAR
Distribution Limits
Public
Copyright
Other