相关论文: Nodal structures of few electron atoms

The quantum states of a system of particles in a finite spatial domain in general consist of a set of discrete energy eigenvalues; these are usually grouped into bunches of degenerate or close-lying levels, called shells. In fermionic…

The time dependent Schrodinger equation inclusive of curvature effects is developed for a spinless electron constrained to motion on a toroidal surface and subjected to circularly polarized and linearly polarized waves in the microwave…

We investigate the low-temperature thermoelectric properties of three-dimensional nodal-line semimetals within the semiclassical Boltzmann formalism. Considering short-range interaction between electrons and scattering agents, we calculate…

We consider the Schr\"odinger equation with a Hamiltonian given by a second order difference operator with nonconstant growing coefficients, on the half one dimensional lattice. This operator appeared first naturally in the construction and…

This is the third article in our series of articles exploring connections between dynamical systems of St\"ackel-type and of Painlev\'e-type. In this article we present a method of deforming of minimally quantized quasi-St\"ackel…

A study of fermion nodes for spin-polarized states of a few-electron ions and molecules with $s,p,d$ one-particle orbitals is presented. We find exact nodes for some cases of two electron atomic and molecular states and also the first exact…

We propose a model of dynamical noncommutative quantum mechanics in which the noncommutative strengths, describing the properties of the commutation relations of the coordinate and momenta, respectively, are arbitrary energy dependent…

We calculate from first principles the electronic structure, relaxation and magnetic moments in small Fe particles, applying the numerical local orbitals method in combination with norm-conserving pseudopotentials. The accuracy of the…

We propose a simple quantum algorithm for simulating highly oscillatory quantum dynamics, which does not require complicated quantum control logic for handling time-ordering operators. To our knowledge, this is the first quantum algorithm…

The time-dependent Schr\"odinger equation for atomic hydrogen in few-cycle laser pulses is solved numerically. Introducing a positive definite quantum distribution function in energy-position space, a straightforward comparison of the…

Treating the fermionic ground state problem as a constrained stochastic optimization problem, a formalism for fermionic quantum Monte Carlo is developed that makes no reference to a trial wavefunction. Exchange symmetry is enforced by…

Measuring the expectation value of the molecular electronic Hamiltonian is one of the challenging parts of the variational quantum eigensolver. A widely used strategy is to express the Hamiltonian as a sum of measurable fragments using…

We rigorously study the long time dynamics of solitary wave solutions of the nonlinear Schr\"odinger equation in {\it time-dependent} external potentials. To set the stage, we first establish the well-posedness of the Cauchy problem for a…

Non-autonomous dynamical systems appear in a very wide range of interesting applications, both in classical and quantum dynamics, where in the latter case it corresponds to having a time-dependent Hamiltonian. However, the quantum…

The physical model of a nonrelativistic quantized Schrodinger's electron (SE) is offered. The behaviour of the SE well spread elementary electric charge had been understood by means of two independent and different in a frequency and size…

Monte Carlo simulation based on Metropolis algorithm has been used with a great success to analyze the dynamic phase transition properties of a single spherical core-shell nanoparticle system with a spin-3/2 core surrounded by a spin-1…

In the context of noncommutative space-time, we investigate the nucleon structure functions which plays an important role to identify the internal structure of nucleons. We use the corrected vertices and employ new vertices that appear in…

We compute the self-energy for the half-filled Hubbard model on a square lattice using lattice quantum Monte Carlo simulations and the dynamical vertex approximation. The self-energy is strongly momentum dependent, but it can be…

An algorithm for generating optimal nonuniform grids for solving the two-body Schr\"odinger equation is developed and implemented. The shape of the grid is optimized to accurately reproduce the low-energy part of the spectrum of the…

We introduce a new family of trial wave-functions based on deep neural networks to solve the many-electron Schr\"odinger equation. The Pauli exclusion principle is dealt with explicitly to ensure that the trial wave-functions are physical.…