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On some aspects of changing the sign of the dipole moment functions of diatomic molecules

M A Buldakov1, V N Cherepanov2, E V Koryukina2 and Yu N Kalugina2

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Ab initio calculations of asymptotic dipole moment functions of some diatomic molecules at R → 0 have been carried out. It was achieved that in a range of small internuclear separations, the dipole moment functions of the molecules CO, NO, BF and BeNe for ground electronic states have an additional change of the sign.


PACS

31.15.A- Ab initio calculations

34.70.+e Charge transfer

33.15.Kr Electric and magnetic moments (and derivatives), polarizability, and magnetic susceptibility

Subjects

Atomic and molecular physics

Computational physics

Dates

Issue 10 (28 May 2009)

Received 25 March 2009

Published 8 May 2009



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