相关论文: Analytical Potential Energy Function for the Groun…

We propose a general method to obtain accurate estimates for some of the "low-energy constants" in the one-loop effective chiral Lagrangian by means of simulating lattice QCD. In particular, the method is sensitive to those constants whose…

We numerically solve the electron-hole relative wave function of interlayer excitons in bilayer transition metal dichalcogenides, taking into account the screening effects from both the constituent transition metal dichalcogenides layers…

A coherent state technique is used to generate an Interacting Boson Model (IBM) Hamiltonian energy surface that simulates a mean field energy surface. The method presented here has some significant advantages over previous work.…

This work is aimed at the multi-configuration Hartree-Fock calculations of the 6s ionization energies of lanthanides with configurations [Xe]4f^{N}6s^{2}. Authors have used the ATSP MCHF version in which there are new codes for calculation…

Semi-empirical interatomic potentials have been developed for Al, alpha-Ti, and gamma-TiAl within the embedded atomic method (EAM) by fitting to a large database of experimental as well as ab-initio data. The ab-initio calculations were…

Adsorbed gases within, or outside of, carbon nanotubes may be analyzed with an approximate model of adsorption on lattice sites situated on a cylindrical surface. Using this model, the ground state energies of alternative lattice structures…

We present here a formulation of the electronic ground-state energy in terms of the second order reduced density matrix, using a duality argument. It is shown that the computation of the ground-state energy reduces to the search of the…

We consider the ground state and the ground state energy of an atom with spinless electrons in the framework of non-relativistic qed. We show that the ground state energy as well as the ground state depend analytically on the parameters of…

Estimating the ground-state energy of Hamiltonians is a fundamental task for which it is believed that quantum computers can be helpful. Several approaches have been proposed toward this goal, including algorithms based on quantum phase…

We investigate the local and global optimality of the triangular, square, simple cubic, face-centred-cubic (FCC), body-centred-cubic (BCC) lattices and the hexagonal-close-packing (HCP) structure for a potential energy per point generated…

We consider two-component fermions on the lattice in the unitarity limit. This is an idealized limit of attractive fermions where the range of the interaction is zero and the scattering length is infinite. Using Euclidean time projection,…

We present an evaluation of heavy quarkonium states (bottomium and charmonium) from first principles. We use tree-level QCD (including relativistic corrections) and the full one-loop potential; nonperturbative effects are taken into account…

In lattice QCD, the Maximum Entropy Method can be used to reconstruct spectral functions from euclidean correlators obtained in numerical simulations. We show that at finite temperature the most commonly used algorithm, employing Bryan's…

We propose an improvement of the differential method for the computation of the equation of state of QCD from lattice simulations. In contrast to the earlier differential method our technique yields positive pressure for all temperatures…

The lowest doublet electronic state for the lithium trimer (2A') is calculated for use in three-body scattering calculations using the valence electron FCI method with atomic cores represented using an effective core potential. It is shown…

Ground state energies and wave functions of quartic and pure quartic oscillators are calculated by first casting the Schr\"{o}dinger equation into a nonlinear Riccati form and then solving that nonlinear equation analytically in the first…

Platinum is widely used as a pressure calibration standard. However, the established thermal EOS has uncertainties, especially in the high $P$-$T$ range. We use density functional theory to calculate the thermal equation of state of…

An analytical representation for the potential energy curve for the ground state $X^1\Sigma^+$ of the hydrogen fluoride molecule (HF) is presented in the frame of the Born-Oppenheimer approximation. The analytical expression for the…

Lanthanide elements play important roles as an opacity source in the ejected material from neutron star mergers. Accurate and complete atomic data are necessary to evaluate the opacities and to analyze the observed data. In this paper, we…

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…