A practical course on quantum Monte Carlo /

---

"Version: 20250801"--Title page verso.Includes bibliographical references.1. Introduction -- 1.1. The Schr?odinger equation -- 1.2. Indistinguishable particles and the ground state -- 1.3. Solving quantum problems with Monte Carlo2. Variational Monte Carlo (VMC) -- 2.1. Spin in expectation values -- 2.2. The multielectron wave function -- 2.3. The Jastrow factor3. Principles of wave function optimization -- 3.1. Energy and variance optimization -- 3.2. Direct and correlated sampling -- 3.3. He atom : energy and variance optimization4. Diffusion Monte Carlo -- 4.1. Projection on the ground state -- 4.2. Imaginary-time Schr?odinger equation -- 4.3. Stochastic representation of a wave function -- 4.4. Importance sampling DMC -- 4.5. Case study : importance sampling DMC for a particle in a box -- 4.6. Case study : DMC for a particle in a box without importance sampling -- 4.7. DMC for bosons and fermions -- 4.8. Fixed-node DMC of atoms and small molecules5. Path integral Monte Carlo -- 5.1. From real-time path integrals to imaginary-time path integrals -- 5.2. High-temperature density matrix -- 5.3. Path generation -- 5.4. Worm algorithm and permutation sampling -- 5.5. Approximate action -- 5.6. PIMC measurements -- 5.7. Practical suggestions for testing a PIMC code -- 5.8. Stochastic series expansion6. 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.Full-text restricted to subscribers or individual document purchasers.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. Part of IOP Series in Quantum Technology.Advanced students.Also available in print.Mode of access: World Wide Web.System requirements: Adobe Acrobat Reader, EPUB reader, or Kindle reader.Vesa Apaja is a seasoned theoretical physicist, especially interested in quantum many body physics and computational physics. His first research topic was quantum fluids as a research assistant in the Department of Physics at the University of Oulu from 1990 to 1999. During that time he realised the importance of the computational approach to many body physics and wrote his first Quantum Monte Carlo codes.In 1999, he ventured to Austria, where he joined the Many-Body Theory group at the Institut f?ur Theoretische Physik, Johannes Kepler Universit?at, Linz. As a Universit?ats Assistent, he expanded his research horizons to excitations in quantum fluids, and intricacies of diagrammatic many-body theory and statistical physics. In 2006, he joined the Department of Physics at the Nanoscience Center, University of Jyv?askyl?a, Finland, where he continues to serve as a senior researcher to this day. His contributions in this role have been in a wide variety of condensed matter topics, such as flat band lattice dynamics and electrochemistry on surfaces using kinetic Monte Carlo.In recent years, teaching statistical physics, efficient numerical programming, numerical applications in physics, and quantum Monte Carlo has taken most of his time. He also possesses proficient programming skills in Python, Julia, Fortran, and C++, which have been instrumental in designing and implementing advanced simulations and computational models to analyse complex physical systems.Title from PDF title page (viewed on September 5, 2025).

---

Availability

No copy data

Detail Information

Series Title

-

Call Number

-

Publisher

: .,

Collation

1 online resource (various pagings) :illustrations (some color).

Language

English

ISBN/ISSN

9780750363105

Classification

518.282

Content Type

-

Media Type

-

Carrier Type

-

Edition

-

Subject(s)

SCIENCE / Physics / Quantum Theory.
Quantum Monte Carlo methods.

Specific Detail Info

-

Statement of Responsibility

Vesa Apaja.

Other version/related

File Attachment

Comments

---

You must be logged in to post a comment