相关论文: The constrained-search--variational method: applic…
In this paper we present and analyze a constraint energy minimizing generalized multiscale finite element method for convection diffusion equation. To define the multiscale basis functions, we first build an auxiliary multiscale space by…
The optimization of neural wave functions in variational Monte Carlo crucially relies on a robust convergence criterion. While the energy variance is theoretically a definitive measure, its practical application as a primary convergence…
We compute the energy levels of a 2D Hydrogen atom when a constant magnetic field is applied. With the help of a mixed-basis variational method and a genera lization of virial theorem, which consists in scaling the wave function, we…
A ubiquitous problem in quantum physics is to understand the ground-state properties of many-body systems. Confronted with the fact that exact diagonalisation quickly becomes impossible when increasing the system size, variational…
We give a detailed account of an $\it{ab}$ $\it{initio}$ spectral approach for the calculation of energy spectra of two active electron atoms in a system of hyperspherical coordinates. In this system of coordinates, the Hamiltonian has the…
We propose a simple variational form of the wave function to describe the ground state and vortex states of a system of weakly interacting Bose gas in an anisotropic trap. The proposed wave function is valid for a wide range of the particle…
We introduce an imaginary-time evolution method to evaluate the pure-state constrained-search functional from density-functional theory formulated on finite lattices. Simultaneously, it yields a potential that produces a prescribed density…
The energy levels of the ground states of the three-particle and four-particle bound states of leptons in quantum electrodynamics are calculated. For the calculation, the variational method with Gaussian basis functions is used. The…
The variational argument is presented to establish the attainability of homogeneity of degree one in the number of particles for any functional $F[n, f]$ that depends on both the state variable $f$ and the particle count $n$. Euler's…
Considering the nuclear motion, the authors give out the nonrelativistic ground energy of a helium atom by using a simple but effective variational wave function with a flexible parameter $k$. Based on this result, the relativistic and…
Besides perturbation theory (which clearly requires the knowledge of the exact unperturbed solution), variational techniques represent the main tool for any investigation of the eigenvalue problem of some semibounded operator H in quantum…
In biological and synthetic materials, many important processes involve charges that are present in a medium with spatially varying dielectric permittivity. To accurately understand the role of electrostatic interactions in such systems, it…
A precise study within variational approach of the basic properties of the three-particle spectrum and structure functions with Gaussian potential near the critical coupling constant of interaction where the Efimov effect takes place is…
Highly accurate nonrelativistic ground-state wave function and energy of the lithium atom is obtained in the Hylleraas basis set. The leading relativistic corrections,as represented by Breit-Pauli Hamiltonian, are obtained in fair agreement…
A self-consistent formulation is proposed to generalize the HF scheme with the incorporation of screening effects. For this purpose in a first step, an energy functional is defined by the mean value for the full Hamiltonian, not in a Slater…
In this article, we consider the extended Kohn-Sham model for atoms subjected to cylindrically-symmetric external potentials. The variational approximation of the model and the construction of appropriate discretization spaces are detailed…
The expectation value of the Hamiltonian using a model wave function is widely used to estimate the eigenvalues of electronic Hamiltonians. We explore here a modified formula for models based on long-range interaction. It scales differently…
Since gravitational wave spacetimes are time-varying vacuum solutions of Einstein's field equations, there is no unambiguous means to define their energy content. However, Weber and Wheeler had demonstrated that they do impart energy to…
Ground and excited states of a confined negative Hydrogen ion has been pursued under Kohn-Sham density functional approach by invoking a physically motivated work-function-based exchange potential. The exchange-only results are of near…
In this article, we derived a rigorous lower bound on the ground-state energy for a class of one-dimensional quantum systems in deformed space with minimal coordinate and momentum uncertainties, representing the absolute minimum energy that…