Analytic continuation average spectrum method for transport in quantum liquids

被引:6
|
作者
Kletenik-Edelman, Orly [1 ]
Rabani, Eran [1 ]
Reichman, David R. [2 ]
机构
[1] Tel Aviv Univ, Sackler Fac Exact Sci, Sch Chem, IL-69978 Tel Aviv, Israel
[2] Columbia Univ, Dept Chem, New York, NY 10027 USA
关键词
Quantum dynamics; PIMC; Analytic continuation; para-Hydrogen; Normal helium; Self-diffusion; CENTROID MOLECULAR-DYNAMICS; INTEGRAL MONTE-CARLO; TIME-CORRELATION-FUNCTIONS; MODE-COUPLING THEORY; MAXIMUM-ENTROPY; COLLECTIVE EXCITATIONS; PARA-HYDROGEN; SIMULATION; DIFFUSION; DEUTERIUM;
D O I
10.1016/j.chemphys.2010.01.012
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
Recently, we have applied the analytic continuation averaged spectrum method (ASM) to calculate collective density fluctuations in quantum liquid [27]. Unlike the maximum entropy (MaxEnt) method, the ASM approach is capable of revealing resolved modes in the dynamic structure factor in agreement with experiments. In this work we further develop the ASM to study single-particle dynamics in quantum liquids with dynamical susceptibilities that are characterized by a smooth spectrum. Surprisingly, we find that for the power spectrum of the velocity autocorrelation function there are pronounced differences in comparison with the MaxEnt approach, even for this simple case of smooth unimodal dynamic response. We show that for liquid para-hydrogen the ASM is closer to the centroid molecular dynamics (CMD) result while for normal liquid helium it agrees better with the quantum mode coupling theory (QMCT) and with the MaxEnt approach. (C) 2010 Elsevier B.V. All rights reserved.
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页码:132 / 136
页数:5
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