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Covering topics including diffusion Monte Carlo, path integral Monte Carlo, variational Monte Carlo, and fermionic complexities (and many more), this book isn't merely a compendium of methods—it's a voyage of understanding. The book empowers readers to decipher the inner workings of Quantum Monte Carlo. It doesn't stop at equipping you with theories; it arms you with practical insights through sample codes, enabling you to deconstruct, analyze, and enhance existing algorithms. Ultimately, it showcases that Quantum Monte Carlo isn't just a numerical tool—it's an expedition that reveals the hidden facets of the quantum world.
Key Features:
- Accompanying code and worked examples of how an algorithm can be coded and tested
- What makes Quantum Monte Carlo superior and just as importantly, what breaks it
- Teaches statistical physics and quantum physics in parallel
- Includes detailed mathematical derivations that won’t leave blind spots
- Emphasises Quantum Monte Carlo as a tool of visualizing quantum mechanics
Preface
Author biography
1 Introduction
2 Variational Monte Carlo (VMC)
3 Principles of wave function optimization
4 Diffusion Monte Carlo
5 Path integral Monte Carlo
6 Path integral ground-state Monte Carlo
Appendix A: Central limit theorem
Appendix B: Diffusion matrix elements
Appendix C: Rejection method
Appendix D: Updating Slater determinants
Appendix E: Path integral Monte Carlo virial estimator
Appendix F: Error estimation
Appendix G: Perturbation expansion