相关论文: The constrained-search--variational method: applic…
We apply a variational method devised for the nuclear many--body problem to the 1-dimensional Hubbard--model with nearest neighbor hopping and periodic boundary conditions. The test wave function consist for each state out of a single…
We reexamine the recently introduced basis-set correction theory based on density-functional theory consisting in correcting the basis-set incompleteness error of wave-function methods using a density functional. We use a one-dimensional…
A variational approach is used to calculate free energy and conformational properties in polyelectrolytes. The true bond and Coulomb potentials are approximated by a trial isotropic harmonic energy containing monomer-monomer force constants…
By application of a straightforward variational procedure we derive a simple, analytic upper bound on the ground-state energy eigenvalue of a semirelativistic Hamiltonian for (one or two) spinless particles which experience some…
We consider the problem of estimating the energy of a quantum state preparation for a given Hamiltonian in Pauli decomposition. For various quantum algorithms, in particular in the context of quantum chemistry, it is crucial to have energy…
A canonical formalism and constraint analysis for discrete systems subject to a variational action principle are devised. The formalism is equivalent to the covariant formulation, encompasses global and local discrete time evolution moves…
Variational quantum eigensolver (VQE) is an efficient computational method promising chemical accuracy in electronic structure calculations on a universal-gate quantum computer. However, such a simple task as computing the electronic energy…
A variational treatment for a two-electron quantum dot (the artificial helium atom) is proposed which leads to exact answer for the ground state energy. Depending on the magnetic field value the singlet-triplet and triplet-triplet…
Calculations of ground-state and excited-state properties of materials have been one of the major goals of condensed matter physics. Ground-state properties of solids have been extensively investigated for several decades within the…
We present a variational ansatz for the ground state of a strongly correlated Bose system. This ansatz goes beyond the Jastrow-Feenberg functional form and explicitly enforces coordination shells in the structure of the wavefunction. We…
The nodal structure of bound-state wave functions for one-dimensional quantum systems with quartic energy-momentum dispersion and polynomial potentials is analysed by using the semiclassical approximation and variational approach. For…
In this paper, we consider a pressure-velocity formulation of the heterogeneous wave equation and employ the constraint energy minimizing generalized multiscale finite element method (CEM-GMsFEM) to solve this problem. The proposed method…
In our previous article [4] an approach to derive Papapetrou equations for constrained electromagnetic field was demonstrated by use of field variational principles. The aim of current work is to present more universal technique of…
Many-body quantum-mechanical stationary states that have real valued wavefunctions are shown to satisfy a classical conservation of energy equation with a kinetic energy function. The terms in the equation depend on the probability…
Variational methods play an important role in the study of quantum many-body problems, both in the flavor of classical variational principles based on tensor networks as well as of quantum variational principles in near-term quantum…
A simple derivation of the static Gross-Pitaevskii (GP) equation is given from an energy variational principle. The result is then generalized heuristically to the time-dependent GP form. With this as background, a number of different…
An infinite sequence of potential well functions is considered. A trial wavefunction is used with the Schr$\ddot{\text{o}}$dinger equation to obtain an approximate ground state energy for each potential well function. We obtain an…
Next-generation lithium-ion batteries with silicon anodes have positive characteristics due to higher energy densities compared to state-of-the-art graphite anodes. However, the large volume expansion of silicon anodes can cause high…
Hierarchical (first-order) structured deformations are studied from the variational point of view. The main contributions of the present research are the first steps, at the theoretical level, to establish a variational framework to…
High accuracy helium wave functions based on exponentials with random coefficients are transformed into momentum space. The utility of the wave functions is demonstrated through calculation of the expectation value of various operators…