Quantum Monte Carlo methods

M. Suzuki, ed. Quantum Monte Carlo Methods. Springer Series in Solid State Sciences. Vol. 74. New York Springer, 1987. 

S. Manten, A. Liichow, Improved Scaling in Diffusion Quantum Monte Carlo with Localized Molecular Orbitals, in Quantum Monte Carlo Methods, Part II, ed. by S.M. Rothstein, W.A. Lester Jr., S. Tanaka (World Scientific, Singapore, 2002), pp. 30 10... 

D. Bressanini, P.J. Reynolds, Between classical and quantum Monte Carlo methods Variational QMC. Adv. Chem. Phys. 105, 37 (1998)... 

QMCcp Quantum Monte Carlo method with a core potential. SVM Stochastic variational method. 

Recent Advances in Quantum Monte Carlo Methods, by W. A. Lester, Jr.,... 

A diffusion quantum Monte Carlo method based on floating spherical Gaussian orbitals and Gaussian geminals Dipole moment of lithium hydride molecule. 

Two methods are in common use for simulating molecular liquids the Monte Carlo method (MC) and molecular dynamics calculations (MD). Both depend on the availability of reasonably accurate potential energy surfaces and both are based on statistical classical mechanics, taking no account of quantum effects. In the past 10-15 years quantum Monte Carlo methods (QMC) have been developed that allow intramolecular degrees of freedom to be studied, but because of the computational complexity of this approach results have only been reported for water clusters. 

We examine the orbital compass model by utilizing the quantum Monte-Carlo method is a finite-size cluster [4], The simulations have been performed on a square lattice of Lx L sites with periodic-boundary conditions. 

M. Dewing and D. M. Ceperley (2002) Methods in Coupled Electron-Ion Monte Carlo. In Recent Advances in Quantum Monte Carlo Methods II (Ed. S. Roth-stein). World Scientific... 

S. Baroni and S. Moroni (1999) Reptation Quantum Monte Carlo A Method for Unbiased Ground-State Averages and Imaginary-Time Correlations. Phys. Rev. Letts. 82, pp. 4745-4748 S. Baroni, S. Moroni Reptation quantum Monte Carlo in Quantum Monte Carlo Methods in Physics and Chemistry , eds. M. P. Nightingale and C. J. Umrigar (Kluwer, 1999), p. 313... 

Suzuki, M. (1986). In Quantum Monte Carlo Methods, ed. Suzuki, M. (Springer-Verlag, New York). 

Joslin and Goldman [105] in 1992 studied this problem by using the Diffusive Quantum Monte Carlo Methods. By resorting to the hard spherical box model, they performed calculations, not only on the ground state of helium atom, but also for H- and Li+. In this method the Schrodinger equation is... 

Lester WA Jr, Rothstein SM, Tanaka S, eds. Recent Advances in Quantum Monte Carlo Methods—Part II. Singapore World Scientific, 2001. 

Later Vosko, Wilk and Nusair (VWN) [32] proposed a correlation functional that was obtained using Pade approximant interpolations of very accurate numerical calculations made by Ceperley and Alder, who used a quantum Monte Carlo method [33], The VWN correlation functional is,... 

BETWEEN CLASSICAL AND QUANTUM MONTE CARLO METHODS VARIATIONAL QMC... 

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