Variational quantum Monte Carlo calculation of electronic and structural properties of crystalsperLouie, S.G.orgDOE/ERorgNSF[Berkeley,] CaliforniaLawrence Berkeley Laboratory1989-09-01engCalculation of the electronic and structural properties of solids using a variational quantum Monte Carlo nonlocal pseudopotential approach is described. Ionization potentials and electron affinities for atoms, and binding energies and structural properties for crystals are found to be in very good agreement with experiment. The approach employs a correlated many-electron wavefunction of the Jastrow-Slater form and the exact Coulomb interaction between valence electrons. One- and two-body terms in the Jastrow factor are used and found necessary for an accurate description of the electron-electron energy for the systems considered. The method has further been applied to compute various single-particle properties for solids including the single-particle orbital occupancy, electron pair correlation functions, and quasiparticle excitation energies. 23 refs., 3 figs., 3 tabs.Pages: (15 p)Electronic StructureEnergyVariational MethodsCrystal StructureElectron-Electron Coupling75 Condensed Matter Physics, Superconductivity And SuperfluidityMany-Body ProblemWave FunctionsCorrelation FunctionsMonte Carlo MethodIonizationAffinityCrystalsBinding EnergyFunctions 656002* -- Condensed Matter Physics-- General Techniques In Condensed Matter-- (1987-)