Calculation of Canonical Properties and Excited States by Path Integral Numerical Methods

P.N. Vorontsov-Velyaminov, M.A. Voznesenskiy, E.A. Polyakov, A.P. Lyubartsev

Research output

1 Citation (Scopus)

Abstract

Path integral Monte Carlo method in the expanded ensemble is used for calculation of the ratio of partition functions for different classes of permutations treating the problem of several interacting identical particles (fermions) in an external field. Wang-Landau algorithm is used for adjustment of balancing factors. For systems consisting of greater than two number of particles we propose an advanced variant of our approach which implies calculation of the ratio of positive and negative contributions to the partition function. Densities and energies of the sequence of excited states starting from the ground state for a system of non interacting quantum particles are calculated in turn, one by one, by means of considering systems with artificially excluded lowest energy levels and further obtaining of the ”ground state” of each next system constructed in this way. The idea of evaluation of densities of excited states for a quantum system with interparticle interaction by evaluating density difference betwee
Original languageEnglish
Pages (from-to)382–385
JournalContributions to Plasma Physics
Volume51
Issue number4
DOIs
Publication statusPublished - 2011

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partitions
excitation
ground state
permutations
Monte Carlo method
fermions
energy levels
adjusting
evaluation
interactions
energy

Cite this

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title = "Calculation of Canonical Properties and Excited States by Path Integral Numerical Methods",
abstract = "Path integral Monte Carlo method in the expanded ensemble is used for calculation of the ratio of partition functions for different classes of permutations treating the problem of several interacting identical particles (fermions) in an external field. Wang-Landau algorithm is used for adjustment of balancing factors. For systems consisting of greater than two number of particles we propose an advanced variant of our approach which implies calculation of the ratio of positive and negative contributions to the partition function. Densities and energies of the sequence of excited states starting from the ground state for a system of non interacting quantum particles are calculated in turn, one by one, by means of considering systems with artificially excluded lowest energy levels and further obtaining of the ”ground state” of each next system constructed in this way. The idea of evaluation of densities of excited states for a quantum system with interparticle interaction by evaluating density difference betwee",
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author = "P.N. Vorontsov-Velyaminov and M.A. Voznesenskiy and E.A. Polyakov and A.P. Lyubartsev",
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TY - JOUR

T1 - Calculation of Canonical Properties and Excited States by Path Integral Numerical Methods

AU - Vorontsov-Velyaminov, P.N.

AU - Voznesenskiy, M.A.

AU - Polyakov, E.A.

AU - Lyubartsev, A.P.

PY - 2011

Y1 - 2011

N2 - Path integral Monte Carlo method in the expanded ensemble is used for calculation of the ratio of partition functions for different classes of permutations treating the problem of several interacting identical particles (fermions) in an external field. Wang-Landau algorithm is used for adjustment of balancing factors. For systems consisting of greater than two number of particles we propose an advanced variant of our approach which implies calculation of the ratio of positive and negative contributions to the partition function. Densities and energies of the sequence of excited states starting from the ground state for a system of non interacting quantum particles are calculated in turn, one by one, by means of considering systems with artificially excluded lowest energy levels and further obtaining of the ”ground state” of each next system constructed in this way. The idea of evaluation of densities of excited states for a quantum system with interparticle interaction by evaluating density difference betwee

AB - Path integral Monte Carlo method in the expanded ensemble is used for calculation of the ratio of partition functions for different classes of permutations treating the problem of several interacting identical particles (fermions) in an external field. Wang-Landau algorithm is used for adjustment of balancing factors. For systems consisting of greater than two number of particles we propose an advanced variant of our approach which implies calculation of the ratio of positive and negative contributions to the partition function. Densities and energies of the sequence of excited states starting from the ground state for a system of non interacting quantum particles are calculated in turn, one by one, by means of considering systems with artificially excluded lowest energy levels and further obtaining of the ”ground state” of each next system constructed in this way. The idea of evaluation of densities of excited states for a quantum system with interparticle interaction by evaluating density difference betwee

KW - Quantum statistics

KW - Monte Carlo

KW - path-integral

KW - expanded ensembles

KW - Wang-Landau algorithm

U2 - DOI: 10.1002/ctpp.201010112

DO - DOI: 10.1002/ctpp.201010112

M3 - Article

VL - 51

SP - 382

EP - 385

JO - Contributions to Plasma Physics

JF - Contributions to Plasma Physics

SN - 0863-1042

IS - 4

ER -