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

Journal Article · Mon Jun 01 00:00:00 EDT 1987 · Theor. Exp. Chem. (Engl. Transl.); (United States)

DOI:https://doi.org/10.1007/BF00534979· OSTI ID:5376144

Braun, P A; Rebane, T K; Semakova, O I

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.

• Research Organization: Leningrad Univ. (USSR)
• OSTI ID: 5376144
• Journal Information: Theor. Exp. Chem. (Engl. Transl.); (United States), Vol. 23:1; Other Information: Translated from Teor. Eksp. Khim.; 23: No. 1, 83-86(Jan-Feb 1987)
• Country of Publication: United States
• Language: English

Related Subjects

74 ATOMIC AND MOLECULAR PHYSICS
36 MATERIALS SCIENCE
BORON HYDRIDES
GROUND STATES
MAGNETIC SUSCEPTIBILITY
QUANTUM NUMBERS
SPIN ORIENTATION
VIBRATIONAL STATES
ATOMIC MODELS
DIAMAGNETISM
ELECTRONIC STRUCTURE
EXCITATION
HARTREE-FOCK METHOD
MOLECULAR ORBITAL METHOD
PARAMAGNETISM
SELF-CONSISTENT FIELD
BORON COMPOUNDS
ENERGY LEVELS
ENERGY-LEVEL TRANSITIONS
EXCITED STATES
HYDRIDES
HYDROGEN COMPOUNDS
MAGNETIC PROPERTIES
MAGNETISM
MATHEMATICAL MODELS
ORIENTATION
PHYSICAL PROPERTIES
640302* - Atomic
Molecular & Chemical Physics- Atomic & Molecular Properties & Theory
360204 - Ceramics
Cermets
& Refractories- Physical Properties