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Quantum Monte Carlo Study of a Lattice Atom Model for Excitonic Fluids
Physical Review B (1986)
  • Randall W. Hall, Noyes Laboratory, University of Illinois at Urbana-Champaign
  • Peter G Wolynes, Noyes Laboratory, University of Illinois at Urbana-Champaign
Abstract
A lattice model of the atom is used to study the excitonic transition in dense fluids. With the use of a simple Hamiltonian for both atomic and interatomic interactions, simulations were made by allowing nuclei to move and by using hard-sphere configurations for the nuclei. The hard-sphere simulations are compared with several analytical theories. Rehybridization of atomic orbitals is found to occur in the hard-sphere systems, while clustering is present in the full simulations.
Disciplines
Publication Date
June, 1986
Citation Information
Randall W. Hall and Peter G Wolynes. "Quantum Monte Carlo Study of a Lattice Atom Model for Excitonic Fluids" Physical Review B Vol. 33 Iss. 11 (1986) p. 7879 ISSN: 2469-995
Available at: http://works.bepress.com/randall_hall/55/