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Ab initio calculations of the properties of NO+ in its ground electronic state X 1Σ+

✍ Scribed by M. Fehér; P.A. Martin

Publisher
Elsevier Science
Year
1993
Tongue
English
Weight
428 KB
Volume
215
Category
Article
ISSN
0009-2614

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✦ Synopsis

The potential energy curves, dipole, quadrupole, octopole and hexadecapole moment functions of the ground X 'Z+ state of NO+ have been calculated at Hartree-Fock, CASSCF, MR-CI and MP2 levels using a [ Ss6p3d] basis set In addition, dipole polansablhtles have also been calculated at the HF and MP2 level Results for the quadrupole moment and dipole polansablhtles compare favourably with recent expenmental results from the spectroscopy of NO Rydberg states .

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