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Author Rao, B. K. ♦ Jena, P. ♦ Ray, A. K.
Source United States Department of Energy Office of Scientific and Technical Information
Content type Text
Language English
Subject Keyword PHYSICS ♦ ATOMIC CLUSTERS ♦ PHOTOELECTRON SPECTROSCOPY ♦ LITHIUM IONS ♦ ANIONS ♦ SELF-CONSISTENT FIELD ♦ ELECTRONIC STRUCTURE ♦ SPIN ♦ GEOMETRY ♦ CHARGE STATES ♦ DENSITY FUNCTIONAL METHOD ♦ QUANTUM CHEMISTRY ♦ ANOMALOUS PROPERTIES
Abstract The photoelectron spectra of Li{sub 4}{sup {minus}}, in sharp contrast to that of other alkali tetramers, consist of two very narrow peaks separated by an energy gap that is about a factor of 5 smaller than those in Na{sub 4}{sup {minus}} and K{sub 4}{sup {minus}}. Self-consistent field calculations based on both quantum chemical and density functional techniques reveal that the ground state of Li{sub 4}{sup {minus}} consists of two nearly degenerate isomeric states with different spin multiplicities. The anomalous spectroscopy results from an intricate interplay among the geometry, electronic structure, and spin multiplicity of these two structures. {copyright} {ital 1996 The American Physical Society.}
ISSN 00319007
Educational Use Research
Learning Resource Type Article
Publisher Date 1996-04-01
Publisher Place United States
Journal Physical Review Letters
Volume Number 76
Issue Number 16


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