Proton Crystallization in a Dense Hydrogen Plasma

Филинов, В. С.; Bönitz, M.; Fehske, Holger; Фортов, В. Е.; Levashov, P. R.

doi:10.1002/ctpp.201100085

Cited by 13 publications

(21 citation statements)

References 14 publications

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“…[47,48], and study the impact of quantum statistics on structural transitions [49]. In addition, we expect our method to be of interest for the future investigation of numerous Fermi systems, including the finite temperature homogeneous electron gas [8][9][10], two-component plasmas [11][12][13] and fermionic bilayer systems [5][6][7]. • Select the time slice of the new head, head τ , uniformly from all P 3 slices.…”

Section: Discussionmentioning

confidence: 99%

Permutation blocking path integral Monte Carlo: a highly efficient approach to the simulation of strongly degenerate non-ideal fermions

et al. 2015

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Correlated fermions are of high interest in condensed matter (Fermi liquids, Wigner molecules), cold atomic gases and dense plasmas. Here we propose a novel approach to path integral Monte Carlo (PIMC) simulations of strongly degenerate non-ideal fermions at finite temperature by combining a fourth-order factorization of the density matrix with antisymmetric propagators, i.e., determinants, between all imaginary time slices. To efficiently run through the modified configuration space, we introduce a modification of the widely used continuous space worm algorithm, which allows for an efficient sampling at arbitrary system parameters. We demonstrate how the application of determinants achieves an effective blocking of permutations with opposite signs, leading to a significant relieve of the fermion sign problem. To benchmark the capability of our method regarding the simulation of degenerate fermions, we consider multiple electrons in a quantum dot and compare our results with other ab initio techniques, where they are available. The present permutation blocking PIMC approach allows us to obtain accurate results even for N = 20 electrons at low temperature and arbitrary coupling, where no other ab initio results have been reported, so far.

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Section: Discussionmentioning

confidence: 99%

Permutation blocking path integral Monte Carlo: a highly efficient approach to the simulation of strongly degenerate non-ideal fermions

et al. 2015

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“…To this end simulations with substantially larger particle numbers are required which should be possible with the presented enhancements. Furthermore, we expect that the presented combination of the complementary CPIMC and PB-PIMC approaches can be successfully applied to numerous other Fermi systems, such as two-component plasmas [51][52][53] and atoms embedded in jellium [54][55][56]. Table I: Energies per particle for N = 66 unpolarized electrons: ideal energy, U0, kinetic energy, T , potential energy, V and exchange-correlation energy Exc.…”

Section: Discussionmentioning

confidence: 99%

Ab initioquantum Monte Carlo simulations of the uniform electron gas without fixed nodes: The unpolarized case

et al. 2016

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In a recent publication [S. Groth et al., PRB (2016)], we have shown that the combination of two novel complementary quantum Monte Carlo approaches, namely configuration path integral Monte Carlo (CPIMC) [T. Schoof et al., PRL 115, 130402 (2015)] and permutation blocking path integral Monte Carlo (PB-PIMC) [T. Dornheim et al., NJP 17, 073017 (2015)], allows for the accurate computation of thermodynamic properties of the spin-polarized uniform electron gas (UEG) over a wide range of temperatures and densities without the fixed-node approximation. In the present work, we extend this concept to the unpolarized case, which requires non-trivial enhancements that we describe in detail. We compare our new simulation results with recent restricted path integral Monte Carlo data [E. Brown et al., PRL 110, 146405 (2013)] for different energy contributions and pair distribution functions and find, for the exchange correlation energy, overall better agreement than for the spin-polarized case, while the separate kinetic and potential contributions substantially deviate.

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“…Examples include electron-hole plasmas in semiconductors, e.g. [9][10][11][12], many questions remain. While the simple one-component plasma (or jellium) model of a Coulomb system has been studied in detail it disregards many fundamental properties, in particular the formation and phases of bound states.…”

Section: Introductionmentioning

confidence: 99%

“…Although a number of studies have been performed in recent years, e.g. [9][10][11][12], many questions remain. In particular, the phase diagram and its dependence on the mass ratio of the two components is known only qualitatively.…”

Section: Introductionmentioning

confidence: 99%

Phase Diagram of Bilayer Electron‐Hole Plasmas

Schleede

Filinov

Bönitz

et al. 2012

Contrib. Plasma Phys.

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We investigate exciton bound-state formation and crystallization effects in two-dimensional electron-hole bilayers. Performing unbiased path integral Monte Carlo simulations all quantum and Coulomb correlation effects are treated on first principles. We analyze diverse pair distribution functions in dependence on the layer separation, particle density and hole-to-electron mass ratio and derive a schematic phase diagram for the neutral mass-asymmetric bilayer system. Our simulations reveal a great variety of possible phases namely an exciton gas, an exciton crystal, an electron-hole liquid and a hole crystal embedded in an electron gas.

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Proton Crystallization in a Dense Hydrogen Plasma

Cited by 13 publications

References 14 publications

Permutation blocking path integral Monte Carlo: a highly efficient approach to the simulation of strongly degenerate non-ideal fermions

Permutation blocking path integral Monte Carlo: a highly efficient approach to the simulation of strongly degenerate non-ideal fermions

Ab initioquantum Monte Carlo simulations of the uniform electron gas without fixed nodes: The unpolarized case

Phase Diagram of Bilayer Electron‐Hole Plasmas

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