First, the Thomas-Fermi-Amaldi (TFA) equation was formulated with a newly derived condition to remove the singularities at the nuclei, which coincided with the molecular cusp condition. Next, the collocation method was applied to the TFA equation using the grid-based density functional theory. In this paper, the electron densities and the radial probabilities for specific atoms (He, Be, Ne, Mg,...

The authors of Ferguson and Ponciano (2014) would like to correct the following errors found in the paper and online Supporting Information. These errors, however, do not affect the main analysis or the interpretation of our results in any manner. We would like to thank Michael Barfield for pointing these out. 1. On page 256, the second sentence in the second column should read “A negligible AR...

In this paper we consider the following mathematical model: an elliptic boundary value problem, where the partial differential equation contains advection, diffusion, and deposition parts. A Monte Carlo (MC) method to solve this equation uses a local integral representation by the Green’s function and a random process called “Walks on Balls”(WOB). A new class of grid free MC algorithms for solv...

In this paper, we develop an algorithm refinement (AR) scheme for an excluded random walk model whose mean field behavior is given by the viscous Burgers’ equation. AR hybrids use the adaptive mesh refinement framework to model a system using a molecular algorithm where desired while allowing a computationally faster continuum representation to be used in the remainder of the domain. The focus ...

Starting with any R-matrix with spectral parameter, obeying the YangBaxter equation and a unitarity condition, we construct the corresponding infinite dimensional quantum group UR in term of a deformed oscillators algebra AR. The realization we present is an infinite series, very similar to a vertex operator. Then, considering the integrable hierarchy naturally associated to AR, we show that UR...

Let Ω be a bounded domain in R . In this paper, we consider the following nonlinear elliptic equation of N -Laplacian type: (0.1) { −∆Nu = f (x, u) u ∈ W 1,2 0 (Ω) \ {0} when f is of subcritical or critical exponential growth. This nonlinearity is motivated by the Moser-Trudinger inequality. In fact, we will prove the existence of a nontrivial nonnegative solution to (0.1) without the Ambrosett...

We present bound state masses of the self-conjugate and non-self-conjugate mesons in the context of the Schrödinger equation taking into account the relativistic kinematics and the quark spins. We apply the usual interaction by adding the spin dependent correction. The pseudoscalar and vector decay constants of the Bc meson and the unperturbed radial wave function at the origin are also calcula...

We present bound state masses of the self-conjugate and non-self-conjugate mesons in the context of the Schrödinger equation taking into account the relativistic kinematics and the quark spins. We apply the usual interaction by adding the spin dependent correction. The hyperfine splittings for the 2S charmonium and 1S bottomonium are calculated. The pseudoscalar and vector decay constants of th...

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We develop a hydrodynamic description of the classical Calogero-Sutherland liquid: a Calogero-Sutherland model with an infinite number of particles and a non-vanishing density of particles. The hydrodynamic equations, being written for the density and velocity fields of the liquid, are shown to be a bidirectional analogue of BenjaminOno equation. The latter is known to describe internal waves o...