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Theoretical and Experimental Chemistry

, Volume 23, Issue 1, pp 78–80 | Cite as

Refined calculation of the magnetic susceptibility and polarizability of the BH molecule in different vibrational levels of the ground electronic state

  • P. A. Braun
  • T. K. Rebane
  • O. I. Semakova
Brief Communications
  • 18 Downloads

Abstract

Refined calculations of the dependence of the components of the magnetic susceptibility and polarizability of the BH molecule in the electronic ground state on the vibrational quantum number have been carried out. It has been found that, as the vibrational quantum number increases from v=0 to v=17, the transverse magnetic susceptibility averaged over the molecular vibrations increases by a factor of 7.1, while the longitudinal polarizability increases by a factor of 2.2. The results obtained confirm the sharp increase in the anomalous paramagnetic susceptibility of the BH molecule upon excitation of the vibrational levels of its ground electronic state predicted in the preceding work of the authors.

Keywords

Magnetic Susceptibility Electronic State Quantum Number Sharp Increase Number Increase 
These keywords were added by machine and not by the authors. This process is experimental and the keywords may be updated as the learning algorithm improves.

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Literature cited

  1. 1.
    R. M. Stevens and W. N. Lipscomb, “Perturbed Hartree-Fock calculations. 5. Magnetic properties of the BH molecule,” J. Chem. Phys., 42, No. 10, 3666–3669 (1965).Google Scholar
  2. 2.
    M. Jaszunski, “Magnetic susceptibility of the BH molecule,” Theor. Chim. Acta, 48, No. 4, 323–329 (1978).Google Scholar
  3. 3.
    C. T. Corcoran and J. O. Hirschfelder, “The magnetic susceptibility of BH,” J. Chem. Phys., 72, No. 3, 1524–1528 (1980).Google Scholar
  4. 4.
    R. A. Hegstrom and W. N. Lipscomb, “Magnetic properties of the BH molecule,” J. Chem. Phys., 45, No. 7, 2378–2383 (1966).Google Scholar
  5. 5.
    R. A. Hegstrom and W. N. Lipscomb, “Magnetic properties of the BF and BH molecules,” J. Chem. Phys., 48, No. 2, 809–811 (1968).Google Scholar
  6. 6.
    P. A. Braun, T. K. Rebane, and O. I. Semakova, “Dependence of the magnetic susceptibility of the BH molecule on its vibrational state,” Teor. Éksp. Khim., 19, No. 2, 131–135 (1983).Google Scholar
  7. 7.
    G. T. Daborn and N. C. Handy, “Electromagnetic properties of BH (1Σ+) using CASSCF wave functions,” Mol. Phys., 49, No. 6, 1277–1288 (1983).Google Scholar
  8. 8.
    P. A. Braun, M. A. Volodicheva, and T. K. Rebane, “Variation of the character of the susceptibility of a diamagnetic molecule upon its vibrational excitation,” Teor. Éksp. Khim., 21, No. 1, 82–84 (1985).Google Scholar

Copyright information

© Plenum Publishing Corporation 1987

Authors and Affiliations

  • P. A. Braun
    • 1
  • T. K. Rebane
    • 1
  • O. I. Semakova
    • 1
  1. 1.Leningrad UniversityUSSR

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