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CASSCF calculations of the multipole moments and dipole polarisability functions of the X 2Σ+ and A 2Π states of CO+

✍ Scribed by P.A. Martin; M. Fehér

Publisher
Elsevier Science
Year
1995
Tongue
English
Weight
344 KB
Volume
232
Category
Article
ISSN
0009-2614

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✦ Synopsis

The potential energy curves, dipole, quadrupole and octopole moments and dipole polarisabilities have been calculated at CASSCF level using a [ 8s6p3d] basis for the ground X 2~ + state of CO + as a function of internuclear distance. In addition the potential energy curves, as well as the dipole, quadrupole and octopole moments have been calculated for the excited A ~H state. Results are compared with experimental values of the quadrupole moment and polarisability of the X 2~ + state determined from recent multiphoton studies of CO nf-Rydberg series.

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