Published March 21, 2015 | Version v1
Journal article

Quantum Monte Carlo estimation of complex-time correlations for the study of the ground-state dynamic structure function

  • 1. Dipartimento di Fisica and INO-CNR BEC Center, Università degli Studi di Trento, I-38123 Povo, Trento (Italy)
  • 2. Departament de Física i Enginyeria Nuclear, Universitat Politècnica de Catalunya, Campus Nord B4-B5, E-08034 Barcelona (Spain)

Description

We present a method based on the path integral Monte Carlo formalism for the calculation of ground-state time correlation functions in quantum systems. The key point of the method is the consideration of time as a complex variable whose phase δ acts as an adjustable parameter. By using high-order approximations for the quantum propagator, it is possible to obtain Monte Carlo data all the way from purely imaginary time to δ values near the limit of real time. As a consequence, it is possible to infer accurately the spectral functions using simple inversion algorithms. We test this approach in the calculation of the dynamic structure function S(q, ω) of two one-dimensional model systems, harmonic and quartic oscillators, for which S(q, ω) can be exactly calculated. We notice a clear improvement in the calculation of the dynamic response with respect to the common approach based on the inverse Laplace transform of the imaginary-time correlation function

Additional details

Identifiers

Publishing Information

Journal Title
Journal of Chemical Physics
Journal Volume
142
Journal Issue
11
Journal Page Range
p. 114114-114114.11
ISSN
0021-9606
CODEN
JCPSA6

Optional Information

Notes
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