Ab initio calculations of the properties
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M. Fehér; P.A. Martin
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Article
📅
1993
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Elsevier Science
🌐
English
⚖ 428 KB
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 l