Ab initio calculations of the properties of NO+ in its ground electronic state X 1$Σ$+. Fehér, M. & Martin, P. Chemical Physics Letters, 215(6):565–570, 1993. doi abstract bibtex The potential energy curves, dipole, quadrupole, octopole and hexadecapole moment functions of the ground X 1Σ+ state of NO+ have been calculated at Hartree-Fock, CASSCF, MR-CI and MP2 levels using a [8s6p3d] basis set. In addition, dipole polarisabilities have also been calculated at the HF and MP2 level. Results for the quadrupole moment and dipole polarisabilities compare favourably with recent experimental results from the spectroscopy of NO Rydberg states.
@article{feher:cpl:1993,
Abstract = {The potential energy curves, dipole, quadrupole, octopole and hexadecapole moment functions of the ground X 1Σ+ state of NO+ have been calculated at Hartree-Fock, CASSCF, MR-CI and MP2 levels using a [8s6p3d] basis set. In addition, dipole polarisabilities have also been calculated at the HF and MP2 level. Results for the quadrupole moment and dipole polarisabilities compare favourably with recent experimental results from the spectroscopy of NO Rydberg states.},
Author = {M. Feh{\'e}r and P.A. Martin},
Date-Added = {2020-06-09 10:37:57 -0700},
Date-Modified = {2020-06-09 10:54:20 -0700},
Doi = {10.1016/0009-2614(93)89356-M},
Journal = {Chemical Physics Letters},
Number = {6},
Pages = {565--570},
Title = {Ab initio calculations of the properties of NO+ in its ground electronic state X 1$\Sigma$+},
Volume = {215},
Year = {1993},
Bdsk-Url-1 = {http://www.sciencedirect.com/science/article/pii/000926149389356M},
Bdsk-Url-2 = {https://doi.org/10.1016/0009-2614(93)89356-M}}
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