相关论文: Finite H2 concentrations in superfluid 4He
Using a diffusion Monte Carlo (DMC) technique, we calculated the phase diagram of 3He adsorbed on a first solid layer of a molecular hydrogen isotope (H2,HD and D2) on top of graphite. The results are qualitatively similar in all cases: a…
The variational Monte Carlo method is used to evaluate the ground-state energy of the confined hydrogen molecule, H_2. Accordingly, we considered the case of hydrogen molecule confined by a hard prolate spheroidal cavity when the nuclear…
This paper presents a detailed study of the hydrogen adsorption properties of small silicon-lithium binary nanoclusters. The stabilities of H2 adsorbed binary clusters are assured by maximum hardness and minimum electrophilicity principle.…
Phase transitions are uncommon among homogenous one-dimensional fluids of classical particles owing to a general non-existence result due to van Hove. A way to circumvent van Hove's theorem is to consider an interparticle potential that is…
Low temperature structural and superfluid properties of $^4$He confined in cylindrical nanopores are theoretically investigated by means of first principle Quantum Monte Carlo (QMC) simulations. We vary the density of $^4$He inside the…
We survey the phase diagram of high-pressure molecular hydrogen with path integral molecular dynamics using a machine-learned interatomic potential trained with Quantum Monte Carlo forces and energies. Besides the HCP and C2/c-24 phases, we…
We study the superfluid density of hard-core bosons on quasi-one-dimensional lattices using the quantum Monte Carlo method. Because of phase slippage, the superfluid density drops quickly to zero at finite temperatures with increasing the…
In this thesis we have used Quantum Monte Carlo techniques to study two systems that can be regarded as the archetype for neutral strongly interacting systems: 4He, and its fermionic counterpart 3He.More specifically, we have used the Path…
A density functional theory is used to investigate the instability arising in superfluid $^4$He as it flows at velocity u just above the Landau critical velocity of rotons v_c. Confirming an early theoretical prediction by one of us [JETP…
Using quantum Monte Carlo methods we have studied dilute Bose-Bose mixtures with attractive interspecies interaction in the limit of zero temperature. The calculations are exact within some statistical noise and thus go beyond previous…
We present a superfluid hydrodynamic model for the increase in moment of inertia, $\Delta I$, of molecules rotating in liquid $^4$He. The static inhomogeneous He density around each molecule (calculated using the Orsay-Paris liquid $^4$He…
I present here a microscopic theory for the superfluidity of $^4$He (He II) derived from experiments, and answer its essential questions. With a "momenton" model, the superfluid is shown to feature as a "harmonic superfluid". In which a new…
Monte Carlo computer simulations in the canonical and grand canonical statistical ensemble were used to explore the properties of the central force (CF1) water model. The intramolecular structure of the H$_2$O molecule is well reproduced by…
Using the $x-y$ model and a non-local updating scheme called cluster Monte Carlo, we calculate the superfluid density of a two dimensional superfluid on large-size square lattices $L \times L$ up to $400\times 400$. This technique allows us…
Extensive Path Integral Monte Carlo simulations of condensed para-Hydrogen in two dimensions at low temperature have been carried out. In the zero temperature limit, the system is a crystal at equilibrium, with a triangular lattice…
We review our study of critical phenomena in superfluid $^4$He confined in nanoporous glasses. $^4$He in nanoporous media is an ideal ground to survey the quantum phase transition of bosons. In the present work, critical phenomena were…
Solid isotopic helium mixtures have been studied by path-integral Monte Carlo simulations in the isothermal-isobaric ensemble. This method allowed us to study the molar volume as a function of temperature, pressure, and isotopic…
Restricted path integral Monte Carlo simulations are used to calculate the equilibrium properties of hydrogen in the density and temperature range of $9.83 \times 10^{-4}\rm \leq \rho \leq 0.153 \rm gcm^{-3}$ and $5000 \leq T \leq 250 000…
Solid 4He has been created off the melting curve by growth at nearly constant mass via the "blocked capillary" technique and growth from the 4He superfluid at constant temperature. The experimental apparatus allows injection of 4He atoms…
We introduce an efficient scheme for the molecular dynamics of electronic systems by means of quantum Monte Carlo. The evaluation of the (Born-Oppenheimer) forces acting on the ionic positions is achieved by two main ingredients: i) the…