Related papers: Distorted Waves with Exact Non-Local Exchange: a C…
A recently developed self-healing diffusion Monte Carlo algorithm [PRB 79, 195117] is extended to the calculation of excited states. The formalism is based on an excited-state fixed-node approximation and the mixed estimator of the…
The use of operator methods of algebraic nature is shown to be a very powerful tool to deal with different forms of relativistic wave equations. The methods provide either exact or approximate solutions for various forms of differential…
In this paper we introduce a new method for exact decomposition of propagating, nonlinear magnetohydrodynamic (MHD) disturbances into their component eigenenergies associated with the familiar slow, Alfv\'en, and fast wave eigenmodes, and…
Simulating nonadiabatic effects with many-body wave function approaches is an open field with many challenges. Recent interest has been driven by new algorithmic developments and improved theoretical understanding of properties unique to…
We develop a formalism and present an algorithm for optimization of the trial wave-function used in fixed-node diffusion quantum Monte Carlo (DMC) methods. We take advantage of a basic property of the walker configuration distribution…
The adiabatic distorted wave approximation (ADWA) is widely used by the nuclear community to analyse deuteron stripping ($d$,$p$) experiments. It provides a quick way to take into account an important property of the reaction mechanism:…
We study several aspects of the recently introduced fixed-phase spin-orbit diffusion Monte Carlo (FPSODMC) method, in particular, its relation to the fixed-node method and its potential use as a general approach for electronic structure…
We analyze d-wave resonances in atom-atom scattering in the presence of harmonic confinement by employing a higher partial wave pseudopotential. Analytical results for the scattering amplitude and transmission are obtained and compared to…
We study the Dirac equation for quasiparticles in gapped graphene with two oppositely charged impurities by using the technique of linear combination of atomic orbitals and variational Galerkin--Kantorovich method. We show that for…
The multiconfiguration time-dependent Hartree-Fock (MCTDHF) method is formulated for treating the coupled electronic and nuclear dynamics of diatomic molecules without the Born- Oppenheimer approximation. The method treats the full…
It is shown for two electron atoms that ground-state wavefunctions of the form \begin{equation} \Psi(\vec{r_{1}}, \vec{r_{2}})=\phi(\vec{r_{1}})\phi(\vec{r_{2}})(\cosh ar_{1}+\cosh ar_{2})(1+0.5 r_{12}e^{-b r_{12}}) \end{equation} where…
In this paper, we study the numerical stabilization of a 1D system of two wave equations coupled by velocities with an internal, local control acting on only one equation. In the theoretical part of this study, we distinguished two cases.…
A new approach to the geometrization of the electron theory is proposed. The particle wave function is represented by a geometric entity, i.e., Clifford number, with the translation rules possessing the structure of Dirac equation for any…
In this work we perform rigorous small noise expansions to study the impact of stochastic forcing on the behaviour of planar travelling wave solutions to reaction-diffusion equations on cylindrical domains. In particular, we use a…
We investigate the connection between the linear harmonic oscillator equation and some classes of second order nonlinear ordinary differential equations of Li\'enard and generalized Li\'enard type, which physically describe important…
We prove local energy decay for the damped wave equation on R^d. The problem which we consider is given by a long range metric perturbation of the Euclidean Laplacian with a short range absorption index. Under a geometric control assumption…
The Projected Augmented Waves (PAW) method is based on a linear transformation between the pseudo wavefunctions and the all electron wavefunctions. To obtain high accuracy with this method, it is important that the local part of the linear…
We apply the quantum-defect theory for $-1/R^4$ potential to study the resonant charge exchange process. We show that by taking advantage of the partial-wave-insensitive nature of the formulation, resonant charge exchange of the type of…
Existence and bifurcation results are derived for quasi periodic traveling waves of discrete nonlinear Schrodinger equations with nonlocal interactions and with polynomial type potentials. Variational tools are used. Several concrete…
The electronic orders appearing in condensed matter systems are originating from the precise arrangement of atoms constituting the crystal as well as their nature. This teneous relationship can lead to highly different phases in condensed…