Title
Field dependence of the energy of a molecule in a magnetic field Field dependence of the energy of a molecule in a magnetic field
Author
Faculty/Department
Faculty of Sciences. Physics
Publication type
article
Publication
Lancaster, Pa ,
Subject
Physics
Source (journal)
Physical review : A : atomic, molecular and optical physics. - Lancaster, Pa, 1990 - 2015
Volume/pages
60(1999) :4 , p. 2853-2866
ISSN
1050-2947
ISI
000083201000044
Carrier
E
Target language
English (eng)
Full text (Publishers DOI)
Affiliation
University of Antwerp
Abstract
combining the variational principle and the Hellmann-Feynman theorem, various forms of virial equations are obtained: for a many-electron system in arbitrary scalar and vector potential fields, for a neutral or charged molecule in an arbitrary vector potential field, for a molecule and an atom in a homogeneous magnetic field. These virial equations and their integrals represent exact results for the field-dependence of the ground-state and excited-state energies of the considered systems. Their validity is demonstrated not only for the exact eigenenergies, but also for a wide class of approximate energies, including the Hartree-Fock approximation and the intense-field limit of the statistical Thomas-Fermi model. [S1050-2947(99)07710-0].
Full text (open access)
https://repository.uantwerpen.be/docman/irua/f5e2b1/6111.pdf
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