Boiling is a complex phenomenon where different non-linear physical interactions take place and for which the quantitative modeling of mechanism involved not fully developed yet. In last years, many works have been published focusing on numerical analysis this problem. However, lack assessing quantitatively sensitivity these simulations to grid parameters can be identified, especially Lattice B...

Quantum Monte Carlo methods provide in principle a highly accurate treatment of the many-body problem of the ground and excited states of condensed systems. In practice, however, uncontrolled errors such as those arising from the fixed-node and pseudopotential approximations can be problematic. We show that the accuracy of some quantum Monte Carlo calculations is limited by using available pseu...

Wave functions obtained from plane-wave density-functional theory (DFT) calculations using normconserving pseudopotential, ultrasoft pseudopotential, or projector augmented-wave method are efficiently and robustly transformed into a set of spatially localized nonorthogonal quasiatomic orbitals (QOs) with pseudoangular momentum quantum numbers. We demonstrate that these minimal-basis orbitals ca...

We review mathematical methods for the treatment of a system of Bose particles with nonuniform density. The use of the pseudopotential is explained, especially with respect to negative scattering lengths. It is emphasized that the delta-function potential produces no scattering in three dimensions, and should not be used in the Bogoliubov self-consistent field method, which is variational in na...

A simple method to include the strong force in atom–antiatom scattering is presented. It is based on the strong-force scattering length between the nucleon and antinucleon. Using this method elastic and annihilation cross sections are calculated for hydrogen–antihydrogen and helium–antihydrogen scattering. The results are compared to first-order perturbation theory using a pseudo potential. The...

2014 We have calculated the constant volume and the constant pressure phonon limited resistivity of sodium and potassium using a local, first principles pseudopotential. This kind of pseudopotential has been useful in the calculation of properties of aluminum and lithium. It is obtained from the induced electron density around an ion in the corresponding electron gas. From this pseudopotential ...

The new coordinate-dependent pseudopotential for Na2(+) by Kahros and Schwartz [J. Chem. Phys. 138, 054110 (2013)] is assessed and compared to the pseudopotential approach by Fuentealba et al. [Chem. Phys. Lett. 89, 418 (1982)] which incorporates the coordinate-dependent core-polarization potential by Müller and Meyer [J. Chem. Phys. 80, 3311 (1984)]. In contrast to the latter approach, the one...

Dust acoustic solitary waves are studied in warm dusty plasma containing negatively charged dusts, nonthermal ions and Boltzmann distributed electrons. Sagdeev pseudopotential method is used in order to investigate solitary wave solutions in the plasmas. The existence of compressive and rarefractive solitons is studied. Keywords—Nonthermal, Soliton, Dust, Sagdeev potential