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/lp/american-physical-society-aps/quantum-monte-carlo-study-of-a-lattice-atom-model-for-excitonic-fluids-IESGAWKO5o
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- Publisher
- American Physical Society (APS)
- Copyright
- Copyright © 1986 The American Physical Society
- ISSN
- 1095-3795
- DOI
- 10.1103/PhysRevB.33.7879
- Publisher site
- See Article on Publisher Site
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.
Journal
Physical Review B – American Physical Society (APS)
Published: Jun 1, 1986