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

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.

Authors:
; ;
Publication Date:
Research Org.:
Leningrad Univ. (USSR)
OSTI Identifier:
5376144
Resource Type:
Journal Article
Journal Name:
Theor. Exp. Chem. (Engl. Transl.); (United States)
Additional Journal Information:
Journal Volume: 23:1; Other Information: Translated from Teor. Eksp. Khim.; 23: No. 1, 83-86(Jan-Feb 1987)
Country of Publication:
United States
Language:
English
Subject:
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

Citation Formats

Braun, P A, Rebane, T K, and Semakova, O I. Refined calculation of the magnetic susceptibility and polarizability of the BH molecule in different vibrational levels of the ground electronic state. United States: N. p., 1987. Web. doi:10.1007/BF00534979.
Braun, P A, Rebane, T K, & Semakova, O I. Refined calculation of the magnetic susceptibility and polarizability of the BH molecule in different vibrational levels of the ground electronic state. United States. https://doi.org/10.1007/BF00534979
Braun, P A, Rebane, T K, and Semakova, O I. 1987. "Refined calculation of the magnetic susceptibility and polarizability of the BH molecule in different vibrational levels of the ground electronic state". United States. https://doi.org/10.1007/BF00534979.
@article{osti_5376144,
title = {Refined calculation of the magnetic susceptibility and polarizability of the BH molecule in different vibrational levels of the ground electronic state},
author = {Braun, P A and Rebane, T K and Semakova, O I},
abstractNote = {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.},
doi = {10.1007/BF00534979},
url = {https://www.osti.gov/biblio/5376144}, journal = {Theor. Exp. Chem. (Engl. Transl.); (United States)},
number = ,
volume = 23:1,
place = {United States},
year = {Mon Jun 01 00:00:00 EDT 1987},
month = {Mon Jun 01 00:00:00 EDT 1987}
}