The Physics of Liquid Para-Hydrogen

Lindenau, T.; Ristig, M. L.; Gernoth, K. A.; Dawidowski, J.; Bermejo, Francisco Javier

doi:10.1142/s0217979206036077

Cited by 9 publications

(9 citation statements)

References 18 publications

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“…[22,25] and numerical results for normal liquid 4 He and para-hydrogen may be found in Refs. [4,23,26,27]. We stress that the corresponding equations are available for Bose and for Fermi liquids.…”

Section: Microscopic Theorymentioning

confidence: 99%

“…In this region their chemical potential is negative and decreases monotonically with increasing temperature. We note that μ qp (T ) differs from the chemical potential of an 4 He atom immersed in the helium fluid, since the immersed atoms become bound in the liquid.…”

Section: Renormalized Bosons and Fermionsmentioning

confidence: 99%

“…To demonstrate the strong influence of the dynamic factor exp[−Q(r)] on the one-body reduced density matrix elements (9) we show in Fig. 3 numerical results for the unit-normalized phase-phase correlation function P (r) = Q(r)/Q(0) for supercritical 4 He at density = 0.02185 Å −3 and T = 20 K. Even at such a high temperature the correlation length is still about 6 Å and the strength is |Q(0)| = p 0 = 0.872.…”

Section: Final States and Dynamic Correlationsmentioning

confidence: 99%

“…The excellent agreement demonstrates that CDM theory provides quantitatively reliable data. Displayed are CDM results on the liquid structure function S(k) at temperature T = 13.3 K and bulk particle number density = 0.022 Å −3 for supercritical 4 He. The crosses indicate experimental results of Ref.…”

Section: Final States and Dynamic Correlationsmentioning

confidence: 99%

“…Applications have been successfully performed in a very wide range of strongly correlated quantum systems. We name only a few of such topics: Liquid helium [1][2][3], para-hydrogen [4], nuclear and neutron matter [5], spin lattice and gauge models [6][7][8], the physics of the fractional quantum Hall effect [9] and of Josephson junction arrays [10].…”

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confidence: 99%

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Statistical Properties of Strongly Correlated Quantum Liquids

Ristig

Gernoth

2009

Found Phys

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Modern microscopic theory is employed to construct a powerful analytical algorithm that permits a clear description of characteristic features of strongly correlated quantum fluids in thermodynamic equilibrium. Using recently developed formal results we uncover an intricate relationship between strongly correlated systems and free quantum gases of appropriately defined constituents. The latter entities are precisely defined renormalized bosons or fermions. They carry all the information contained in the statistical correlations of the strongly interacting many-particle system by virtue of their effective masses. The mass of such a renormalized boson or fermion depends in a specific form on temperature, bulk particle number density of the many-body system, and eventually on momentum. Due to these properties the renormalized bosons and fermions determine in particular the location and nature of the transition to non-normal phases.

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Section: Microscopic Theorymentioning

confidence: 99%

Section: Renormalized Bosons and Fermionsmentioning

confidence: 99%

Section: Final States and Dynamic Correlationsmentioning

confidence: 99%

Section: Final States and Dynamic Correlationsmentioning

confidence: 99%

mentioning

confidence: 99%

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Statistical Properties of Strongly Correlated Quantum Liquids

Ristig

Gernoth

2009

Found Phys

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From Classical to Quantum and Back: A Hamiltonian Scheme for Adaptive Multiresolution Classical/Path-Integral Simulations

Kreis

Tuckerman

Donadio

et al. 2016

J. Chem. Theory Comput.

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In computer simulations, quantum delocalization of atomic nuclei can be modeled making use of the Path Integral (PI) formulation of quantum statistical mechanics. This approach, however, comes with a large computational cost. By restricting the PI modeling to a small region of space, this cost can be significantly reduced. In the present work we derive a Hamiltonian formulation for a bottomup, theoretically solid simulation protocol that allows molecules to change their resolution from quantum-mechanical to classical and vice versa on the fly, while freely diffusing across the system. This approach renders possible simulations of quantum systems at constant chemical potential. The validity of the proposed scheme is demonstrated by means of simulations of low temperature parahydrogen. Potential future applications include simulations of biomolecules, membranes, and interfaces.

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Quantum locality and equilibrium properties in low-temperature parahydrogen: A multiscale simulation study

Potestio

Site²

2012

The Journal of Chemical Physics

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Parahydrogen is the spin-zero singlet state of molecular hydrogen, which at low temperature (between 14 and 25 K) is in a fluid state. A classical treatment of the system leads to unphysical freezing, and the inclusion of quantum delocalization of the molecule is then required to obtain a realistic description of its equilibrium properties. In the present work, we employ the classical-quantum adaptive resolution method AdResS to investigate the spatial extension of quantum delocalization effects in the bulk fluid at low temperature. Specifically, we simulate a small, spherical region of the system in full quantum detail: this region is coupled to a bulk of coarse-grained particles with classical, quantum-derived effective interactions obtained from quantum simulations. The two regions are interfaced through open boundaries and in conditions of thermodynamic equilibrium. Structural properties of the fluid, namely, pair distribution functions, are measured for different sizes of the quantum region. The results of this work show that, for the thermodynamic conditions corresponding to the range of temperature between 14 and 25 K, the bead-based, quantum structural properties of low-temperature parahydrogen are deemed local and do not require the support of an explicit quantum bulk.

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The Physics of Liquid Para-Hydrogen

Cited by 9 publications

References 18 publications

Statistical Properties of Strongly Correlated Quantum Liquids

Statistical Properties of Strongly Correlated Quantum Liquids

From Classical to Quantum and Back: A Hamiltonian Scheme for Adaptive Multiresolution Classical/Path-Integral Simulations

Quantum locality and equilibrium properties in low-temperature parahydrogen: A multiscale simulation study

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