Monte Carlo simulation of liquid Br2: Test of an effective hamiltoniain |
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| Authors: | F.P. Ricci D. Rocca R. Vallauri |
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| Affiliation: | Dipartimento di Fisica, Università di Roma “La Sapienza”, Piazzale Aldo Moro 2, I-00185 Rome, Italy;Istituto di Elettropzica Quantistica del CNR, Via Panciatichi 56/30, I-50127 Florence, Italy |
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| Abstract: | Monte Carlo simulations for the structure of a fluid of molecules interacting with a pair potential having one Lennard- Jones center plus a quadrupole interaction is reported. The numerical experiments are compared with an approximation method previously suggested and with experimental results for the liquid Br2 structure. This effective pair potential turns out to be unable to reproduce the Br2 structure while the approximation method is only useful for quadrupole moments less than 1.2 × 10?40 C m2. |
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