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Title
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Field dependence of the energy of a molecule in a magnetic field
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Author
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Abstract
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| 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]. |
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Language
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English
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Source (journal)
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Physical review : A : atomic, molecular and optical physics. - Lancaster, Pa, 1990 - 2015
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Publication
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Lancaster, Pa
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1999
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ISSN
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1094-1622
[online]
1050-2947
[print]
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DOI
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10.1103/PHYSREVA.60.2853
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Volume/pages
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60
:4
(1999)
, p. 2853-2866
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ISI
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000083201000044
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Full text (Publisher's DOI)
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Full text (open access)
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