Publication
Title
Field dependence of the energy of a molecule in a magnetic field
Author
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].
Language
English
Source (journal)
Physical review : A : atomic, molecular and optical physics. - Lancaster, Pa, 1990 - 2015
Publication
Lancaster, Pa : 1999
ISSN
1094-1622 [online]
1050-2947 [print]
Volume/pages
60:4(1999), p. 2853-2866
ISI
000083201000044
Full text (Publisher's DOI)
Full text (open access)
UAntwerpen
Faculty/Department
Research group
Publication type
Subject
Affiliation
Publications with a UAntwerp address
External links
Web of Science
Record
Identification
Creation 03.01.2013
Last edited 02.07.2017
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