Determination of the Van Hove spectrum of liquid He(4): An application of the Feymnan-Kleinert linearized path integral methodology

被引:51
作者
Poulsen, JA [1 ]
Nyman, G
Rossky, PJ
机构
[1] Univ Gothenburg, S-41296 Gothenburg, Sweden
[2] Univ Texas, Dept Chem & Biochem, Inst Theoret Chem, Austin, TX 78712 USA
关键词
D O I
10.1021/jp049281d
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 spectrum of the Van Hove correlation function (CF) is calculated for liquid He(4) at 27 K and a density of 0.25 g/cm(3) by utilizing a recently proposed approximation to quantum CFs derived by combining an effective-frequency Boltzmann-Wigner transform with a linearized path integral expression for CFs. For this anharmonic system and highly nonlinear CF, we obtain excellent agreement with available accurate results. In particular, the first, second, and third moments of the spectrum are in very good agreement with both experiment and earlier theoretical results. Also, the calculated kinetic energy is in excellent agreement with accurate path integral Monte Carlo results.
引用
收藏
页码:8743 / 8751
页数:9
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