Rovibrational states of Wigner molecules in spherically symmetric confining potentials
Abstract
The stronglocalization limit of threedimensional Wigner molecules, in which repulsively interacting particles are confined by a weak spherically symmetric potential, is investigated. An explicit prescription for computation of rovibrational wavefunctions and energies that are asymptotically exact at this limit is presented. The prescription is valid for systems with arbitrary angularlyindependent interparticle and confining potentials, including those involving Coulombic and screened (i.e., Yukawa/Debye) interactions. The necessary derivations are greatly simplified by explicit constructions of the Eckart frame and the parityadapted primitive wavefunctions. The performance of the new formalism is illustrated with the three and fourelectron harmonium atoms at their strongcorrelation limits. In particular, the involvement of vibrational modes with the E symmetry is readily pinpointed as the origin of the “anomalous” weakconfinement behavior of the {sup 1}S{sub +} state of the fourelectron species that is absent in its {sup 1}D{sub +} companion of the strongconfinement regime.
 Authors:
 Institute of Physics, University of Szczecin, Wielkopolska 15, 70451 Szczecin, Poland and MaxPlanckInstitut für Physik komplexer Systeme, Nöthnitzer Str. 38, D01187 Dresden (Germany)
 Publication Date:
 OSTI Identifier:
 22678966
 Resource Type:
 Journal Article
 Resource Relation:
 Journal Name: Journal of Chemical Physics; Journal Volume: 145; Journal Issue: 5; Other Information: (c) 2016 Author(s); Country of input: International Atomic Energy Agency (IAEA)
 Country of Publication:
 United States
 Language:
 English
 Subject:
 37 INORGANIC, ORGANIC, PHYSICAL AND ANALYTICAL CHEMISTRY; CALCULATION METHODS; ELECTRIC POTENTIAL; MOLECULES; SYMMETRY; THREEDIMENSIONAL LATTICES; WAVE FUNCTIONS
Citation Formats
Cioslowski, Jerzy. Rovibrational states of Wigner molecules in spherically symmetric confining potentials. United States: N. p., 2016.
Web. doi:10.1063/1.4959899.
Cioslowski, Jerzy. Rovibrational states of Wigner molecules in spherically symmetric confining potentials. United States. doi:10.1063/1.4959899.
Cioslowski, Jerzy. Sun .
"Rovibrational states of Wigner molecules in spherically symmetric confining potentials". United States.
doi:10.1063/1.4959899.
@article{osti_22678966,
title = {Rovibrational states of Wigner molecules in spherically symmetric confining potentials},
author = {Cioslowski, Jerzy},
abstractNote = {The stronglocalization limit of threedimensional Wigner molecules, in which repulsively interacting particles are confined by a weak spherically symmetric potential, is investigated. An explicit prescription for computation of rovibrational wavefunctions and energies that are asymptotically exact at this limit is presented. The prescription is valid for systems with arbitrary angularlyindependent interparticle and confining potentials, including those involving Coulombic and screened (i.e., Yukawa/Debye) interactions. The necessary derivations are greatly simplified by explicit constructions of the Eckart frame and the parityadapted primitive wavefunctions. The performance of the new formalism is illustrated with the three and fourelectron harmonium atoms at their strongcorrelation limits. In particular, the involvement of vibrational modes with the E symmetry is readily pinpointed as the origin of the “anomalous” weakconfinement behavior of the {sup 1}S{sub +} state of the fourelectron species that is absent in its {sup 1}D{sub +} companion of the strongconfinement regime.},
doi = {10.1063/1.4959899},
journal = {Journal of Chemical Physics},
number = 5,
volume = 145,
place = {United States},
year = {Sun Aug 07 00:00:00 EDT 2016},
month = {Sun Aug 07 00:00:00 EDT 2016}
}

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