1549380323-Statistical Mechanics Theory and Molecular Simulation

(jair2018) #1

690 References


Chem. Phys., 106 , 5615.
Tuckerman, M. E., Mundy, C. J., and Martyna, G. J. (1999). On theclassical statis-
tical mechanics of non-Hamiltonian systems.Europhys. Lett., 45 , 149.
Vanden-Eijnden, E. and Ciccotti, G. (2006). Second-order integrators for Langevin
equations with holonomic constraints.Chem. Phys. Lett., 429 , 310.
VandeVondele, J. and Rothlisberger, U. (2002). Canonical adiabatic free energy
sampling (CAFES): A novel method for the exploration of free energy surfaces.J.
Phys. Chem. B, 106 , 203.
Verlet, L. (1967). Computer experiments on classical fluids. I. Thermodynamical
properties of Lennard-Jones molecules.Phys. Rev., 159 , 98.
Voth, G. A. (1993). Feynman path integral formulation of quantum mechanical
transition state theory.J. Phys. Chem., 97 , 8365.
Voth, G. A., Chandler, D., and Miller, W. H. (1989). Rigorous formulation of quantum
transition state theory and its dynamical corrections.J. Chem. Phys., 91 , 7749.
Waldram, J. R. (1985). Theory of Thermodynamics. Cambridge University Press,
New York, NY.
Wallqvist, A., Thirumalai, D., and Berne, B. J. (1987). Path integral Monte-Marlo
study of the hydrated electron.J. Chem. Phys., 86 , 6404.
Wang, F. and Landau, D. P. (2001). Determinating the density of states for classical
statistical models: A random walk algorithm to produce a flat histogram. Phys.
Rev. E, 64 , 056101.
Watanabe, M. and Reinhardt, W. P. (1990). Direct dynamic calculation of entropy
and free-energy by adiabatic switching.Phys. Rev. Lett., 65 , 3301.
Weber, H. J. and Arfken, G. B. (2005).Mathematical Methods for Physicists. Aca-
demic Press, Burlington, MA.
Weingarten, D. (1982). Monte Carlo evaluation of hadron masses inlattice gauge
theories with fermions.Phys. Lett. B, 109 , 57.
Weingarten, D. and Petcher, D. N. (1981). Monte Carlo integration for lattice gauge
theories with fermions.Phys. Lett. B, 99 , 333.
Weyl, H. (1927). Quantenmechanik und Gruppentheorie.Z. Phys., 46 , 1.
Widom, B. (1963). Some topics in the theory of fluids.J. Chem. Phys., 39 , 2808.
Widom, B. (1965). Equation of state in the neighborhood of the critical point. J.
Chem. Phys., 43 , 3898.
Wiener, N. (1930). Generalized harmonic analysis.Acta Math., 55 , 117.
Wilson, K. G. (1971). Renormalization group and critical phenomena. 1. Renormal-
ization group and Kadanoff scaling picture.Phys. Rev. B, 4 , 3174.
Wilson, K. G. and Fisher, M. E. (1972). Critical exponents in 3.99 dimensions.Phys.
Rev. Lett., 28 , 240.
Witt, A., Ivanov, S. D., Shiga, M., Forbert, H., and Marx, D. (2009).On the applica-
bility of centroid and ring-polymer path integral molecular dynamics for vibrational
spectroscopy.J. Chem. Phys., 130 , 194510.
Yan, Q. L., Faller, R., and de Pablo, J. J. (2002). Density-of-states Monte Carlo
method for simulation of fluids.J. Chem. Phys., 116 , 8745.
Yang, C. N. (1952). The spontaneous magnetization of a two-dimensional Ising model.
Phys. Rev., 85 , 808.
Free download pdf