FEYNMAN-HIBBS QUANTUM EFFECTIVE POTENTIALS FOR MONTE-CARLO SIMULATIONS OF LIQUID NEON

被引:52
作者
SESE, LM
机构
[1] Departamento de Química Física, Facultad de Ciencias, Universidad Nacional de Educación a Distancia, Madrid, 28040, C/Senda del Rey s/n
关键词
D O I
10.1080/00268979300100761
中图分类号
O64 [物理化学(理论化学)、化学物理学];
学科分类号
070304 ; 081704 ;
摘要
The quantum characteristics of liquid neon at four state points have been studied by means of Monte Carlo simulations involving two effective pair potentials arising from the path-integral formalism, namely the quadratic (QFH) and the Gaussian (GFH) Feynman-Hibbs (FH) potentials. Results include mechanical, thermal and structural properties for the FH and the classical Lennard-Jones models. The procedure to compute thermal quantities has been based on Widom's insertion technique. The data reported in the paper are also compared, where possible, with previous path-integral simulation results and with available experimental information.
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页码:1167 / 1177
页数:11
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