My PhD thesis - Condensed Matter Theory - Imperial College London

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BIBLIOGRAPHY [9] D. Bohm and D. Pines. A collective description of electron interactions: III. Coulomb interactions in a degenerate electron gas. Physical Review, 92(3):609, 1953. [10] J. M. Borwein and P. B. Borwein. Pi and the AGM: A Study in Analytic Number Theory and Computational Complexity. Canadian Mathematical Society series of monographs and advanced texts. Wiley, New York, 1987. [11] D. Bressanini, G. Morosi, and M. Mella. Robust wave function optimization procedures in quantum Monte Carlo methods. Journal of Chemical Physics, 116(13):5345, 2002. [12] D. M. Ceperley and B. J. Alder. Ground state of the electron gas by a stochastic method. Physical Review Letters, 45(7):566, 1980. [13] R. J. Coldwell. International Journal of Quantum Chemistry. Quantum Chemistry Symposium, 11:215, 1977. [14] H. Conroy. Molecular Schrödinger equation. II. Calculation of ground-state energies by extrapolation. Journal of Chemical Physics, 41(5):1336, 1964. [15] H. Conroy. Molecular Schrödinger equation. II. Monte Carlo evaluation of integrals. Journal of Chemical Physics, 41(5):1331, 1964. [16] H. Conroy. Molecular Schrödinger equation. II. Properties of the energy variance function: The estimation of energy eigenvalues. Journal of Chemical Physics, 47(3):930, 1967. [17] S. Doniach and E. H. Sondheimer. Green’s functions for solid state physicists. Imperial College, London, 1998. [18] R. M. Dreizler and E. K. U. Gross. Density Functional Theory: An Approach to the Quantum Many-Body Problem. Springer-Verlag, 1990. 208
BIBLIOGRAPHY [19] A. G. Eguiluz and W. Hanke. Evaluation of the exchange-correlation potential at a metal surface from many-body perturbation theory. Physical Review B, 39(14):10433, 1989. [20] A. G. Eguiluz, M. Heinrichsmeier, A. Fleszar, and W. Hanke. First-principles evaluation of the surface barrier for a kohn-sham electron at a metal surface. Physical Review Letters, 68(9):1359, 1992. [21] S. Fahy, X. W. Wang, and S. G. Louie. Variational quantum Monte Carlo nonlocal pseudopotential approach to solids: Formulation and application to diamond, graphite, and silicon. Physical Review B, 42:3503–3522, 1990. [22] C. Filippi and C. J. Umrigar. Multiconfiguration wave functions for quantum Monte Carlo calculations of first-row diatomic molecules. Journal of Chemical Physics, 105(1):213, 1996. [23] W. M. C. Foulkes, R. Q. Hood, and R. J. Needs. Symmetry constraints and variational principles in diffusion quantum Monte Carlo calculations of excitedstate energies. Physical Review B, 60(7):4558, 1999. [24] W. M. C. Foulkes, L. Mitas, R. J. Needs, and G. Rajagopal. Quantum Monte Carlo simulations of solids. Reviews of Modern Physics, 73(1):33, 2001. [25] L. M. Fraser, W. M. C. Foulkes, G. Rajagopal, R. J. Needs, S. D. Kenny, and A. Williamson. Finite-size effects and Coulomb interactions in quantum Monte Carlo calculations for homogeneous systems with periodic boundary conditions. Physical Review B, 53(4):1814, 1996. [26] P. Garcia-Gonzalez. Program for density-functional theory calculations of jellium slabs (dftsurf3), 2001. [27] P. Garcia-Gonzalez and R. W. Godby. Self-consistent calculation of total energies of the electron gas using many-body perturbation theory. Physical Review B, 63:075112, 2001. 209
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Improving the accuracy of surface s
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Acknowledgements I am greatly indeb
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CONTENTS 3.3.4 Importance-sampled d
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CONTENTS 10 Conclusions 181 A The q
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LIST OF FIGURES 5.3 The LDA energy
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LIST OF FIGURES 8.4 The x- and z-co
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LIST OF FIGURES 8.20 Electron densi
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List of Tables 8.1 The function F k
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Chapter 1 Introduction In recent de
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CHAPTER 1. INTRODUCTION A successfu
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CHAPTER 2. MECHANICS THE SIMPLIFICA
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CHAPTER 3. QUANTUM MONTE CARLO METH
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Chapter 4 Errors in QMC simulations
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CHAPTER 4. ERRORS IN QMC SIMULATION
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CHAPTER 5. THE JELLIUM SLAB The jel
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CHAPTER 5. THE JELLIUM SLAB 0.08 0.
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CHAPTER 5. THE JELLIUM SLAB The DMC
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CHAPTER 5. THE JELLIUM SLAB -9.125
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CHAPTER 5. THE JELLIUM SLAB -0.3 Su
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CHAPTER 5. THE JELLIUM SLAB 0.14 be
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CHAPTER 5. THE JELLIUM SLAB At the
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CHAPTER 6. THE MODIFIED PERIODIC CO
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CHAPTER 7. THE ELECTRONIC GROUND-ST
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CHAPTER 8. APPLYING THE PLASMON NOR
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Page 215: BIBLIOGRAPHY [80] C. J. Umrigar, K.
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My PhD thesis - Condensed Matter Theory - Imperial College London

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