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
- DOI
- 10.1063/1.4914995;
- arXiv
- arXiv:1503.01399v1;
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
INIS
- Country of Publication
- United States
- Country of Input or Organization
- International Atomic Energy Agency (IAEA)
- INIS RN
- 46121420
- Subject category
- S71: CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSICS;
- Descriptors DEI
- ALGORITHMS; APPROXIMATIONS; CORRELATION FUNCTIONS; CORRELATIONS; GROUND STATES; LAPLACE TRANSFORMATION; MONTE CARLO METHOD; ONE-DIMENSIONAL CALCULATIONS; OSCILLATORS; PATH INTEGRALS; PROPAGATOR; QUANTUM SYSTEMS; SPECTRAL FUNCTIONS; STRUCTURE FUNCTIONS
- Descriptors DEC
- CALCULATION METHODS; ELECTRONIC EQUIPMENT; ENERGY LEVELS; EQUIPMENT; FUNCTIONS; INTEGRAL TRANSFORMATIONS; INTEGRALS; MATHEMATICAL LOGIC; TRANSFORMATIONS
Optional Information
- Notes
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