My PhD thesis - Condensed Matter Theory - Imperial College London

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BIBLIOGRAPHY [70] J. P. Perdew and A. Zunger. Self-interaction correction to density-functional approximations for many-electron systems. Physical Review B, 23:5048, 1981. [71] J. M. Pitarke. Comment on ‘Diffusion Monte Carlo study of jellium surfaces: Electronic densities and pair correlation functions’. Physical Review B, 70:087401, 2004. [72] J. M. Pitarke and A. G. Eguiluz. Jellium surface energy beyond the localdensity approximation: Self-consistent-field calculations. Physical Review B, 63:045116, 2001. [73] S. Raimes. Many-electron Theory. North-Holland, Amsterdam-London, 1972. [74] G. Rajagopal, R. J. Needs, S. Kenny, W. M. C. Foulkes, and A. James. Quantum Monte Carlo calculations for solids using special k points methods. Physical Review Letters, 73(14):1959, 1994. [75] P. J. Reynolds, D. M. Ceperley, B. J. Alder, and W. A. Lester, Jr. Fixed-node quantum Monte Carlo for molecules. Journal of Chemical Physics, 77(11):5593, 1982. [76] K. E. Schmidt and J. W. Moskowitz. Correlated Monte Carlo wave functions for the atoms He through Ne. Journal of Chemical Physics, 93(6):4172, 1990. [77] F. Sottile and P. Ballone. Fixed-node diffusion Monte Carlo computations for closed-shell jellium spheres. Physical Review B, 64:045105, 2001. [78] M. P. Tosi. Solid State Physics: Advances in Research and Applications, volume 16. Academic, London, 1965. [79] C. J. Umrigar, M. P. Nightingale, and K. J. Runge. A diffusion Monte Carlo algorithm with very small time-step errors. Journal of Chemical Physics, 99(4):2865, 1993. 214
BIBLIOGRAPHY [80] C. J. Umrigar, K. G. Wilson, and J. W. Wilkins. Optimized trial wave functions for Quantum Monte Carlo calculations. Physical Review Letters, 60(17):1719, 1988. [81] S. V. Vonsovsky and M. I. Katsnelson. Quantum Solid-State Physics, volume 73 of Solid-State Sciences. Springer-Verlag, Berlin, 1989. [82] D. H. Weinstein. Modified Ritz method. Proceedings of the National Academy of Sciences of the United States of America, 20(9):529, 1934. [83] A. Williamson, S. D. Kenny, G. Rajagopal, A. J. James, R. J. Needs, L. M. Fraser, W. M. C. Foulkes, and P. Maccullum. Optimized wave functions for quantum Monte Carlo studies of atoms and solids. Physical Review B, 53(15):9640, 1996. [84] A. Williamson, G. Rajagopal, R. J. Needs, L. M. Fraser, W. M. C. Foulkes, Y. Wang, and M. Y. Chou. Elimination of Coulomb finite-size effects in quantum many-body simulations. Physical Review B, 55(8):R4851, 1997. [85] Z. Yan, J. P. Perdew, S. Kurth, C. Fiolhais, and L. Almeida. Density-functional versus wave-function methods: Towards a benchmark for the jellium surface energy. Physical Review B, 61(4):2595, 2000. 215
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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 163 and 164: CHAPTER 8. APPLYING THE PLASMON NOR
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Page 213: BIBLIOGRAPHY [59] H. J. Monkhorst a
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My PhD thesis - Condensed Matter Theory - Imperial College London

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