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Reliable transmission of quantum optical states through real-world environments is key for quantum communication and imaging. Yet, aberrations and scattering in the propagation path can scramble the transmitted signal and hinder its use. A…
We report quantum Monte Carlo (QMC), plane-wave density-functional theory (DFT), and interatomic pair-potential calculations of the zero-temperature equation of state (EOS) of solid neon. We find that the DFT EOS depends strongly on the…
In materials with strong electron-phonon (e-ph) interactions, charge carriers can distort the surrounding lattice and become trapped, forming self-localized (small) polarons. We recently developed an ab initio approach based on canonical…
This paper is presented to give numerical solutions of some cases of nonlinear wave-like equations with variable coefficients by using Reduced Differential Transform Method (RDTM). RDTM can be applied most of the physical, engineering,…
We study one particular asymptotic behaviour of a solution of the fractional modified Korteweg-de Vries equation (also known as the dispersion generalised modified Benjamin-Ono equation): \begin{align}\tag{fmKdV} \partial_t u + \partial_x…
We use a variational Monte Carlo algorithm to solve the electronic structure of two-dimensional semiconductor quantum dots in external magnetic field. We present accurate many-body wave functions for the system in various magnetic field…
Variational wave function ansatze are an invaluable tool to study the properties of strongly correlated systems. We propose such a wave function, based on the theory of auxiliary fields and combining aspects of auxiliary-field quantum Monte…
In this work we develop tools that enable the study of non-adiabatic effects with variational and diffusion Monte Carlo methods. We introduce a highly accurate wave function ansatz for electron-ion systems that can involve a combination of…
An inhomogeneous backflow transformation for many-particle wave functions is presented and applied to electrons in atoms, molecules, and solids. We report variational and diffusion quantum Monte Carlo VMC and DMC energies for various…
The shift of atomic energy levels due to hadronic vacuum polarization is evaluated in a semiempirical way for hydrogenlike ions and for muonic hydrogen. A parametric hadronic polarization function obtained from experimental cross sections…
A canonical formulation of effective equations describes quantum corrections by the back-reaction of moments on the dynamics of expectation values of a state. As a first step toward an extension to quantum-field theory, these methods are…
Computational codes based on the Diffusion Monte Carlo method can be used to determine the quantum state of two-electron systems confined by external potentials of various nature and geometry. In this work, we show how the application of…
A hyperbolic singularity in the wave-function of $s$-wave interacting atoms is the root problem for any accurate numerical simulation. Here we apply the transcorrelated method, whereby the wave-function singularity is explicitly described…
In this work an extended elliptic function method is proposed and applied to the generalized shallow water wave equation. We systematically investigate to classify new exact travelling wave solutions expressible in terms of quasi-periodic…
Classical density-functional theory provides an efficient alternative to molecular dynamics simulations for understanding the equilibrium properties of inhomogeneous fluids. However, application of density-functional theory to multi-site…
This work develops and illustrates a new method of calculating "chemically accurate" electronic wavefunctions (and energies) via a truncated full configuration interaction (CI) procedure which arguably circumvents the large matrix…
Atomic forces are calculated for first-row monohydrides and carbon monoxide within electronic quantum Monte Carlo (QMC). Accurate and efficient forces are achieved by using an improved method for moving variational parameters in variational…
We study an exactly solvable model that can be interpreted as an ideal one-dimensional electron gas confined with an anisotropic quantum wire potential of oscillator-shaped profile. The homogeneous nature of the quantum wire is broken by…
In this article, we report a fully ab initio variational Monte Carlo study of the linear, and periodic chain of Hydrogen atoms, a prototype system providing the simplest example of strong electronic correlation in low dimensions. In…
The quantum Monte Carlo (QMC) is one of the most promising many-body electronic structure approaches. It employs stochastic techniques for solving the stationary Schr\" odinger equation and for evaluation of expectation values. The key…