Density functional theory with spatial-symmetry breaking and configuration mixing

Thomas Lesinski
Phys. Rev. C 89, 044305 – Published 4 April 2014

Abstract

This article generalizes the notion of the local density of a many-body system to introduce collective coordinates as explicit degrees of freedom. It is shown that the energy of the system can be expressed as a functional of this object. The latter can in turn be factorized as the product of the square modulus of a collective wave function and a normalized collective-coordinate-dependent density. Energy minimization translates into a set of coupled equations, i.e., a local Schrödinger equation for the collective wave function and a set of Kohn-Sham equations for optimizing the normalized density at each point in the collective space. These equations reformulate the many-body problem exactly provided one is able to determine density- and collective-wave-function-dependent terms of the collective mass and potential which play a similar role to the exchange-correlation term in electronic Kohn-Sham density functional theory.

  • Received 26 February 2014

DOI:https://doi.org/10.1103/PhysRevC.89.044305

©2014 American Physical Society

Authors & Affiliations

Thomas Lesinski*

  • Department of Physics and Institute for Nuclear Theory, University of Washington, Box 351550, Seattle, Washington 98195, USA; University of Warsaw, Institute of Theoretical Physics, ulica Hoża 69, 00-681 Warsaw, Poland; and Espace de Structure Nucléaire Théorique, DSM/Irfu/SPhN, CEA Saclay, F-91191 Gif-sur-Yvette, France

  • *tlesinsk@gmail.com

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Vol. 89, Iss. 4 — April 2014

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