Mostra el registre d'ítem simple

dc.contributor.authorRota, R
dc.contributor.authorCasulleras Ambrós, Joaquín
dc.contributor.authorMazzanti Castrillejo, Fernando Pablo
dc.contributor.authorBoronat Medico, Jordi
dc.contributor.otherUniversitat Politècnica de Catalunya. Departament de Física i Enginyeria Nuclear
dc.date.accessioned2015-04-22T15:28:44Z
dc.date.available2015-04-22T15:28:44Z
dc.date.created2015-03-21
dc.date.issued2015-03-21
dc.identifier.citationRota, R. [et al.]. Quantum Monte Carlo estimation of complex-time correlations for the study of the ground-state dynamic structure function. "Journal of chemical physics", 21 Març 2015, vol. 142, núm. 11, p. 1-12.
dc.identifier.issn0021-9606
dc.identifier.urihttp://hdl.handle.net/2117/27527
dc.description.abstractWe 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 d 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 d 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, omega) of two one-dimensional model systems, harmonic and quartic oscillators, for which S(q, omega) 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. (C) 2015 AIP Publishing LLC.
dc.format.extent12 p.
dc.language.isoeng
dc.rightsAttribution-NonCommercial-NoDerivs 3.0 Spain
dc.rights.urihttp://creativecommons.org/licenses/by-nc-nd/3.0/es/
dc.subjectÀrees temàtiques de la UPC::Física
dc.subject.lcshMonte Carlo method
dc.subject.lcshQuantum systems
dc.subject.lcshPath integrals
dc.subject.lcshAnalytic continuation
dc.subject.otherAnalytic continuation
dc.subject.otherPath-integrals
dc.subject.otherMaximum-entropy
dc.subject.otherRate constants
dc.subject.otherSystems
dc.subject.otherSimulations
dc.titleQuantum Monte Carlo estimation of complex-time correlations for the study of the ground-state dynamic structure function
dc.typeArticle
dc.subject.lemacMonte Carlo, Mètode de
dc.subject.lemacQuàntums, Teoria dels
dc.subject.lemacIntegrals
dc.contributor.groupUniversitat Politècnica de Catalunya. SIMCON - First-principles approaches to condensed matter physics: quantum effects and complexity
dc.identifier.doi10.1063/1.4914995
dc.relation.publisherversionhttp://scitation.aip.org/content/aip/journal/jcp/142/11/10.1063/1.4914995
dc.rights.accessOpen Access
local.identifier.drac15596271
dc.description.versionPostprint (author’s final draft)
local.citation.authorRota, R.; Casulleras, J.; Mazzanti, F.; Boronat, J.
local.citation.publicationNameJournal of chemical physics
local.citation.volume142
local.citation.number11
local.citation.startingPage1
local.citation.endingPage12


Fitxers d'aquest items

Thumbnail

Aquest ítem apareix a les col·leccions següents

Mostra el registre d'ítem simple