Related papers: Atomic kinetic energy, momentum distribution and s…
Within exact electron density-functional theory, we investigate Kohn-Sham (KS) potentials, orbital energies, and non-interacting kinetic energies of the fractional ions of Li, C and F. We use quantum Monte Carlo densities as input, which…
The lattice dynamics of hcp crystalline 4He is studied at zero temperature and for two different densities (near and far from melting), using a ground-state path-integral quantum Monte Carlo technique. The complete phonon dispersion is…
The phase diagram of natural neon has been calculated for temperatures in the range 17-50 K and pressures between 0.01 and 2000 bar. The phase coexistence between solid, liquid, and gas phases has been determined by the calculation of the…
We calculate static properties of non-rotating neutron stars (NS's) using a microscopic equation of state (EOS) for asymmetric nuclear matter, derived from the Brueckner-Bethe-Goldstone many-body theory with explicit three-body forces. We…
An equation of state (EOS) for uniform asymmetric nuclear matter (ANM) is constructed at zero and finite temperatures by the variational method starting from the nuclear Hamiltonian that is composed of the Argonne v18 and Urbana IX…
Grazing incidence fast atom diffraction has mainly been investigated with helium atoms, considered as the best possible choice for surface analysis. This article presents experimental diffraction profiles recorded with neon projectile,…
The ground state of solid $^4$He is studied using the diffusion Monte Carlo method and a new trial wave function able to describe the supersolid. The new wave function is symmetric under the exchange of particles and reproduces the…
A systematic computational study on the structural, electronic, bonding, and optical properties of orthorhombic ammonium azide (NH$_4$N$_3$) has been performed using planewave pseudopotential (PW-PP) method based on density functional…
With recent developments in simulating nonadiabatic systems to high accuracy, it has become possible to determine how much energy is attributed to nuclear quantum effects beyond zero-point energy. In this work we calculate the…
We have determined the ground-state energies of para-H$_2$ clusters at zero temperature using the diffusion Monte Carlo method. The liquid or solid character of each cluster is investigated by restricting the phase through the use of proper…
Many-body quantum-mechanical stationary states that have real valued wavefunctions are shown to satisfy a classical conservation of energy equation with a kinetic energy function. The terms in the equation depend on the probability…
Exact density functionals for the exchange and correlation energies are approximated in practical calculations for the ground-state electronic structure of a many-electron system. An important exact constraint for the construction of…
We present a diffusion Monte Carlo study of a vortex line excitation attached to the center of a $^4$He droplet at zero temperature. The vortex energy is estimated for droplets of increasing number of atoms, from N=70 up to 300 showing a…
A theoretical study is reported of the molecular-to-atomic transition in solid hydrogen at high pressure. We use the diffusion quantum Monte Carlo method to calculate the static lattice energies of the competing phases and a…
In this paper, we investigate the ground state properties ($i.e$ binding energy, nuclear radius, radial density distribution and single particle energies) for $^{4}He$ and $^{12}C$ nuclei at equilibrium and at large static compression at…
Experimental giant monopole resonance energies are now known to constrain nuclear incompressibility of symmetric nuclear matter $K$ and its density slope $M$ at a particular value of sub-saturation density, the crossing density $\rho_c$.…
The diffusion Monte Carlo method is applied to describe a trapped atomic Bose-Einstein condensate at zero temperature, fully quantum mechanically and nonperturbatively. For low densities, $n(0)a^3 \le 2 \cdot 10^{-3}$ [n(0): peak density,…
Within the Dirac-Brueckner-Hartree-Fock approach, using the Bonn potentials, we investigate the properties of dense, asymmetric nuclear matter and apply it to neutron stars. In the actual calculations of the nucleon self-energies and the…
A Quadratic Diffusion Monte Carlo method has been used to obtain the equation of state of liquid $^4$He including the negative pressure region down to the spinodal point. The atomic interaction used is a renewed version (HFD-B(HE)) of the…
The kaon energy in neutron matter is calculated analytically with the Klein-Gordon equation, by making a Wigner-Seitz cell approximation and employing a $K^-N$ square well potential. The transition from the low density Lenz potential,…