Authors:
- Teaches the basis of modern scientific programming – no prior experience required
- Explains how to solve the Schrodinger equation with numerous hands-on examples
- Allows you to choose between Fortran or Python (or use both!), with code in both languages provided
Part of the book series: Undergraduate Lecture Notes in Physics (ULNP)
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Table of contents (13 chapters)
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Front Matter
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Scientific Programming: an Introduction for Physicists
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Front Matter
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Numerical Methods for Quantum Physics
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Front Matter
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Solving the Schrödinger Equation
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Front Matter
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Back Matter
About this book
Quantum mechanics undergraduate courses mostly focus on systems with known analytical solutions; the finite well, simple Harmonic, and spherical potentials. However, most problems in quantum mechanics cannot be solved analytically.
This textbook introduces the numerical techniques required to tackle problems in quantum mechanics, providing numerous examples en route. No programming knowledge is required – an introduction to both Fortran and Python is included, with code examples throughout.
With a hands-on approach, numerical techniques covered in this book include differentiation and integration, ordinary and differential equations, linear algebra, and the Fourier transform. By completion of this book, the reader will be armed to solve the Schrödinger equation for arbitrarily complex potentials, and for single and multi-electron systems.
Keywords
- Numerical methods in quantum mechanics
- Solving the Helium atom
- Python for quantum mechanics
- Fortran for quantum mechanics
- Hartree-Fock method
- Time-dependent Schrödinger equation
- Solving Schrödinger equation
- Numerov-Cooley method
- Runge-Kutta Schrödinger equation
- Chebyshev expansion Schrödinger equation
- Multi-electron systems
- Problems in quantum mechanics
Authors and Affiliations
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Department of Physics, The University of Western Australia, Perth, Australia
Joshua Izaac, Jingbo Wang
About the authors
Dr. Josh Izaac holds a PhD in Quantum Information and Computation from The University of Western Australia. He has been involved in teaching methods of computational physics and quantum mechanics for the past five years, and currently works as a computational physicist developing photonics-based quantum computing software. A freelance science journalist, his work has also appeared in Science and Australian Geographic.
Professor Jingbo Wang currently leads an active research group at The University of Western Australia, working in the general area of quantum information and computation, in particular quantum walks, quantum simulation, and quantum algorithm development. This textbook evolved out of several lecture courses on Computational Physics, Computational Quantum Mechanics, and Scientific High Performance Computation, which Professor Wang has taught since 2002 at The University of Western Australia.
Bibliographic Information
Book Title: Computational Quantum Mechanics
Authors: Joshua Izaac, Jingbo Wang
Series Title: Undergraduate Lecture Notes in Physics
DOI: https://doi.org/10.1007/978-3-319-99930-2
Publisher: Springer Cham
eBook Packages: Physics and Astronomy, Physics and Astronomy (R0)
Copyright Information: Springer Nature Switzerland AG 2018
Hardcover ISBN: 978-3-319-99929-6Published: 01 March 2019
eBook ISBN: 978-3-319-99930-2Published: 15 February 2019
Series ISSN: 2192-4791
Series E-ISSN: 2192-4805
Edition Number: 1
Number of Pages: XIII, 494
Number of Illustrations: 1 b/w illustrations
Topics: Quantum Physics, Numerical and Computational Physics, Simulation, Atomic/Molecular Structure and Spectra