Isothermal quantum dynamics: Nose-Hoover dynamics for coherent states

DC FieldValueLanguage
dc.contributor.authorMentrup, D
dc.contributor.authorSchnack, J
dc.date.accessioned2021-12-23T15:59:32Z-
dc.date.available2021-12-23T15:59:32Z-
dc.date.issued2003
dc.identifier.issn02179792
dc.identifier.urihttps://osnascholar.ub.uni-osnabrueck.de/handle/unios/3984-
dc.description11th International Conference on Recent Progress in Many Body Theories (RPMBT-11), MANCHESTER, ENGLAND, JUL 09-13, 2001
dc.description.abstractThe method of Nose and Hoover(1,2) to create canonically distributed positions and momenta in classical molecular dynamics simulations is frequently used. Hamilton's equations of motion are supplemented by time-dependent pseudofriction terms that convert the microcanonical isoenergetic time evolution into a canonical isothermal time evolution, thus permitting the calculation of canonical ensemble averages by time averaging. We show that for one quantum particle in an external harmonic oscillator, the equations of motion in terms of coherent states can easily be modified in an analogous manner to mimic the coupling of the system to a thermal bath and create a quantum canonical ensemble.(3) The method is generalised. to a system of two identical quantum particles. In the resulting equations of motion, one obtains an additional attractive term for bosons and a repulsive term for fermions in the dynamics of the pseudofriction coefficients, leading to a correctly sampled thermal weight.
dc.language.isoen
dc.publisherWORLD SCIENTIFIC PUBL CO PTE LTD
dc.relation.ispartofINTERNATIONAL JOURNAL OF MODERN PHYSICS B
dc.subjectMOLECULAR-DYNAMICS
dc.subjectPhysics
dc.subjectPhysics, Applied
dc.subjectPhysics, Condensed Matter
dc.subjectPhysics, Mathematical
dc.titleIsothermal quantum dynamics: Nose-Hoover dynamics for coherent states
dc.typeconference paper
dc.identifier.doi10.1142/S0217979203020557
dc.identifier.isiISI:000187673500021
dc.description.volume17
dc.description.issue28, 2
dc.description.startpage5449
dc.description.endpage5452
dc.contributor.orcid0000-0003-0702-2723
dc.contributor.researcheridA-4079-2008
dc.identifier.eissn17936578
dc.publisher.place5 TOH TUCK LINK, SINGAPORE 596224, SINGAPORE
dcterms.isPartOf.abbreviationInt. J. Mod. Phys. B
crisitem.author.deptFB 04 - Physik-
crisitem.author.deptidfb04-
crisitem.author.orcid0000-0003-0702-2723-
crisitem.author.parentorgUniversität Osnabrück-
crisitem.author.netidScJu137-
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