相关论文: Analytical Potential Energy Function for the Groun…
We apply a recently developed stochastic method to the Shastry-Sutherland model on 4x4 and 8x8 lattices. This method, which we call the Stochastic State Selection Method here, enables us to evaluate expectation values of powers of the…
We derive an approximate analytic formula for the ground-state energy of the charged anyon gas. Our approach is based on the harmonically confined two-dimensional (2D) Coulomb anyon gas and a regularization procedure for vanishing…
We show how accurate benchmark values of the surface formation energy of crystalline lithium hydride can be computed by the complementary techniques of quantum Monte Carlo (QMC) and wavefunction-based molecular quantum chemistry. To…
The hyperspherical harmonics (HH) provide a complete basis for the expansion of atomic wave functions, but even for two particles the number of harmonics for a given order is not trivial and, as the number of electrons increases, this…
We calculate the ground state energies of a system of two dipolar fermions trapped in a harmonic oscillator potential. The dipoles are assumed to be aligned parallel to each other. We perform the calculations of ground state energy as a…
A simple method for constructing effective Hamiltonians for the 4fN and 4fN-15d energy levels of lanthanide ions in crystals from quantum-chemical calculations is presented. The method is demonstrated by deriving crystal-field and…
We propose a method to evaluate spectral functions on the lattice based on a variational method. On a lattice with a finite spatial extent, spectral functions consist of discrete spectra only. Adopting a variational method, we calculate the…
The static three-quark (3Q) potential is measured in the SU(3) lattice QCD with $12^3 \times 24$ and $\beta=5.7$ at the quenched level. From the 3Q Wilson loop, the 3Q ground-state potential $V_{\rm 3Q}$ is extracted using the smearing…
In this paper, we presented an approximate analytical treatment of the Coulomb plus logarithmic potential using perturbation theory to investigate the mass spectra of bottomonium and charmonium mesons for the low-order quantum states. The…
Configuration Interaction (CI) calculations on the ground state of the C atom are carried out using a small basis set of Slater orbitals [7s6p5d4f3g]. The configurations are selected according to their contribution to the total energy. One…
The variational and diffusion quantum Monte Carlo methods are used to calculate the correlation energy of the paramagnetic three-dimensional homogeneous electron gas at intermediate to high density. Ground state energies in finite cells are…
We report variational and diffusion Quantum Monte Carlo ground-state energies of the three-dimensional electron gas using a model periodic Coulomb interaction and backflow corrections for N=54, 102, 178, and 226 electrons. We remove…
The ground state energy is great importance for studying the properties of a material. In this study, we computed both the Hartree-Fock approximation and the random phase approximation of the ground state energy. Considering the effect of…
Charmonium dissociation temperatures are studied in a quenched anisotropic lattice QCD with standard plaquette gauge action and O(a) improved Wilson fermion action. Simulations are carried out at temperatures in the range 0.88T_c to 2.3T_c.…
We compute the energy spectrum of the ground state of a 2D Dirac electron in the presence of a Coulomb potential and a constant magnetic field perpendicular to the plane where the the electron is confined. With the help of a mixed-basis…
We study the ground state energy of a system of N fermions with two spin states in the large N limit. The particles are placed in an inhomogeneous trapping potential and interact via scaled interactions. We study a dilute limit where the…
We present a family of alchemical perturbation potentials that enable the calculation of hydration free energies of small to medium-sized molecules in a concerted single alchemical coupling step instead of the commonly used sequence of two…
The phase behavior and kinetic pathways of Li1+xV3O8 are investigated by means of density functional theory (DFT) and a cluster expansion (CE) methodology that approximates the system Hamiltonian in order to identify the lowest energy…
Extracting molecular properties from a wave function can be done through the linear response (LR) formalism or, equivalently, the equation of motion (EOM) formalism. For a simple model system, He in a 6-31G basis, it is here shown that…
We study charmonium properties below and above $T_c$ up to 1.8$T_c$, on quenched anisotropic lattices. Information of the spectral functions is extracted using the maximum entropy method and the constrained curve fitting. We also calculate…