Related papers: Variational projector-augmented wave method: a ful…
We extend the conforming virtual element method to the numerical resolution of eigenvalue problems with potential terms on a polytopal mesh. An important application is that of the Schrodinger equation with a pseudopotential term. This…
The eigenstate problem of the Jaynes-Cummings model on the basis of complete Hamiltonian, including the center-of -mass kinetic energy operator, is treated. The energy spectrum and wave functions in standing-wave (SW)- and…
The bound state wave functions for a wide class of exactly solvable potentials are found utilizing the quantum Hamilton-Jacobi formalism. It is shown that, exploiting the singularity structure of the quantum momentum function, until now…
In the calculation of hot-plasma atomic structure, the continuum wavefunctions are characterized by phase shifts, which therefore determine the scattering cross-sections. In this short paper, we propose a recurrence relation for the phase…
In this note we consider a pair of particles moving on the positive half-line with the pairing generated by a hard-wall potential. This model was first introduced in [arXiv:1604.06693] and later applied to investigate condensation of pairs…
Exploiting near-term quantum computers and achieving practical value is a considerable and exciting challenge. Most prominent candidates as variational algorithms typically aim to find the ground state of a Hamiltonian by minimising a…
In order to increase the accuracy of the linearized augmented plane wave method (LAPW) we present a new approach where the plane wave basis function is augmented by two different atomic radial components constructed at two different…
We present an embedding approach to treat local electron correlation effects in periodic environments. In a single, consistent framework, our plane-wave based scheme embeds a local high-level correlation calculation (here Coupled Cluster…
In electronic structure calculations, the transcorrelated method consists in transforming the Hamiltonian so as to remove the Coulomb cusp in its eigenfunctions. As a result, the wavefunction can be described more accurately without…
Semi-analytical methods, such as rigorous coupled wave analysis, have been pivotal for numerical analysis of photonic structures. In comparison to other methods, they offer much faster computation, especially for structures with constant…
We propose a new method to solve the eigen-value problem with a two-center single-particle potential. This method combines the usual matrix diagonalization with the method of separable representation of a two-center potential, that is, an…
We develop a new method to isolate localized defects from extended vibrational modes in disordered solids. This method augments particle interactions with an artificial potential that acts as a high-pass filter: it preserves small-scale…
Nonrelativistic collision of proton and antiproton with hydrogen atom described by solving time-dependent Schrodinger equation numerically. Coulomb wave function discrete variable method (CWDVR) had been used to calculate electron wave…
In this article we present a method to compute the scattering states of holes in spherical bands in the strong spin-orbit coupling regime. More precisely, we calculate scattering phase shifts and amplitudes of holes induced by defects in a…
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…
Quantum simulation of chemical systems is one of the most promising near-term applications of quantum computers. The variational quantum eigensolver, a leading algorithm for molecular simulations on quantum hardware, has a serious…
A variational Perturbation theory based on the functional integral approach is formulated for many-particle systems. Using the variational action obtained through Jensen-Peierls' inequality, a perturbative expansion scheme for the…
A shifted - l expansion technique is introduced to calculate the energy eigenvalues for Klein-Gordon (KG) equation with Lorentz vector and/or Lorentz scalar potentials. Although it applies to any spherically symmetric potential, those that…
In this paper, we extend the conventional plane wave expansion method in 3D anisotropic photonic crystal to be able to calculate the complex $\mathbf{k}$ even if permittivity and permeability are complex numbers or the functions of…
We present a novel method for improving the quantum simulation of the ground state energy of molecules. We perform a pre-processing step classically, which reduces the dimensionality of the problem by generating a custom mapping which…