1549380323-Statistical Mechanics Theory and Molecular Simulation

684 References Maris, H. J. and Kadanoff, L. J. (1978). Teaching renormalization group. Am. J. Phys., 46 , 652. Martyna, G. J. ( ...

References 685 Miller, T. F., III and Manolopoulos, D. E. (2005). Quantum diffusion in liquid para- hydrogen from ring-polymer m ...

686 References Onsager, L. (1944). Crystal Statistics. I. A two-dimensional model with an order– disorder transition.Phys. Rev., ...

References 687 for reaction-rates in dissipative systems.Phys. Rev. Lett., 65 , 1399. Poulsen, J. A., Nyman, G., and Rossky, P. ...

688 References Sergi, A. (2003). Non-Hamiltonian equilibrium statistical mechanics. Phys. Rev. E, 67 , 021101. Shankar, R. (1994 ...

References 689 Tesi, M. C., van Rensburg, E. J. J., Orlandini, E., and Whittington, S. G. (1996). Monte Carlo study of the inter ...

690 References Chem. Phys., 106 , 5615. Tuckerman, M. E., Mundy, C. J., and Martyna, G. J. (1999). On theclassical statis- tical ...

References 691 Yoshida, H. (1990). Construction of higher-order symplectic integrators.Phys. Lett. A, 150 , 262. Yu, T. Q., Mart ...

Index Action integral, 29–32, 463 imaginary time, 465 harmonic oscillator, 469 Action-angle variables, 94 Adiabatic free energy ...

Index 693 isoenthalpic-isobaric ensemble, 220 isothermal-isobaric ensemble, 220, 240 microcanonical ensemble, 76, 77, 96, 136 Co ...

694 Index uniform ensemble, 83 Equala prioriprobability, 78 Equation of state critical exponentδ, 178, 616 definition, 56 grand ...

Index 695 adiabatic dynamics, 348–355 blue moon ensemble, 342 blue moon ensemble, 337 collective variables, 334 conjugate moment ...

696 Index difference from thermodynamic integration, 319 difference from WHAM, 346 metadynamics, 357 potential of mean force, 32 ...

Index 697 Local density approximation, 426–430 Loschmidt’s paradox, 55 M(RT)^2 algorithm, 289–297 Markov chain, 289 Martyna–Tobi ...

698 Index spin operators, 387–388 time evolution, 374, 540 time-ordering, 539 transfer matrix, 624–630 unitary, 374 Operator fac ...

Index 699 Nos ́e–Hoover chain equations, 193 Nos ́e–Hoover equations, 190 Phase space function, 21, 70, 80, 108, 154, 501–504 wo ...

700 Index Scalar potential, 531 Scale invariance, 635 Scaling factor, length, 642 Scaling hypothesis, 634 Scaling relations, 634 ...

Index 701 Transfer matrix, 624–630 Transformation bead-spring model, 150 block spin, 634–636, 638, 647 Carnot cycle, 59 Cartesia ...

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