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  • © 2017

Computational Physics

Simulation of Classical and Quantum Systems

  • Teaches basic numerical methods in theoretical physics
  • Features numerous computer examples, for which no programming skills are required
  • Provides detailed explanations without mathematical proofs
  • Discusses standard numerical methods as well as more recent developments
  • Includes problems and solutions
  • Includes supplementary material: sn.pub/extras

Part of the book series: Graduate Texts in Physics (GTP)

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Table of contents (24 chapters)

  1. Front Matter

    Pages i-xxiv
  2. Numerical Methods

    1. Front Matter

      Pages 1-1
    2. Error Analysis

      • Philipp O. J. Scherer
      Pages 3-16
    3. Interpolation

      • Philipp O. J. Scherer
      Pages 17-38
    4. Numerical Differentiation

      • Philipp O. J. Scherer
      Pages 39-46
    5. Numerical Integration

      • Philipp O. J. Scherer
      Pages 47-61
    6. Systems of Inhomogeneous Linear Equations

      • Philipp O. J. Scherer
      Pages 63-96
    7. Roots and Extremal Points

      • Philipp O. J. Scherer
      Pages 97-127
    8. Fourier Transformation

      • Philipp O. J. Scherer
      Pages 129-143
    9. Time-Frequency Analysis

      • Philipp O. J. Scherer
      Pages 145-186
    10. Random Numbers and Monte-Carlo Methods

      • Philipp O. J. Scherer
      Pages 187-211
    11. Eigenvalue Problems

      • Philipp O. J. Scherer
      Pages 213-234
    12. Data Fitting

      • Philipp O. J. Scherer
      Pages 235-253
    13. Discretization of Differential Equations

      • Philipp O. J. Scherer
      Pages 255-287
    14. Equations of Motion

      • Philipp O. J. Scherer
      Pages 289-321
  3. Simulation of Classical and Quantum Systems

    1. Front Matter

      Pages 323-323
    2. Rotational Motion

      • Philipp O. J. Scherer
      Pages 325-349
    3. Molecular Mechanics

      • Philipp O. J. Scherer
      Pages 351-367
    4. Thermodynamic Systems

      • Philipp O. J. Scherer
      Pages 369-383
    5. Random Walk and Brownian Motion

      • Philipp O. J. Scherer
      Pages 385-398

About this book

This textbook presents basic numerical methods and applies them to a large variety of physical models in multiple computer experiments. Classical algorithms and more recent methods are explained. Partial differential equations are treated generally comparing important methods, and equations of motion are solved by a large number of simple as well as more sophisticated methods. Several modern algorithms for quantum wavepacket motion are compared. The first part of the book discusses the basic numerical methods, while the second part simulates classical and quantum systems. Simple but non-trivial examples from a broad range of physical topics offer readers insights into the numerical treatment but also the simulated problems. Rotational motion is studied in detail, as are simple quantum systems. A two-level system in an external field demonstrates elementary principles from quantum optics and simulation of a quantum bit. Principles of molecular dynamics are shown. Modern boundary elementmethods are presented in addition to standard methods, and waves and diffusion processes are simulated comparing the stability and efficiency of different methods. A large number of computer experiments is provided, which can be tried out even by readers with no programming skills. Exercises in the applets complete the pedagogical treatment in the book. In the third edition Monte Carlo methods and random number generation have been updated taking recent developments into account. Krylov-space methods for eigenvalue problems are discussed in much more detail. Short time Fourier transformation and wavelet transformation have been included as tools for time-frequency analysis.

Lastly, elementary quantum many-body problems demonstrate the application of variational and Monte-Carlo methods.

Authors and Affiliations

  • Physikdepartment T38, Technische Universität München, Garching, Germany

    Philipp O.J. Scherer

About the author

Prof. Scherer received his PhD in experimental and theoretical physics in 1984. He habilitated in theoretical physics and has been a lecturer at the Technical University of Munich (TUM) since 1999. He joined the National Institute of Advanced Industrial Science and Technology (AIST) in Tsukuba, Japan, as a visiting scientist in 2001 and 2003. From 2006 to 2008 he has been temporary leader of the Institute for Theoretical Biomolecular Physics at TUM. Ever since he has been an adjunct professor at the physics faculty of TUM. His area of research includes biomolecular physics and the computer simulation of molecular systems with classical and quantum methods. He published books on theoretical molecular physics and computational physics. 



Bibliographic Information

Buy it now

Buying options

eBook USD 54.99
Price excludes VAT (USA)
  • Available as EPUB and PDF
  • Read on any device
  • Instant download
  • Own it forever
Softcover Book USD 69.99
Price excludes VAT (USA)
  • Compact, lightweight edition
  • Dispatched in 3 to 5 business days
  • Free shipping worldwide - see info
Hardcover Book USD 109.99
Price excludes VAT (USA)
  • Durable hardcover edition
  • Dispatched in 3 to 5 business days
  • Free shipping worldwide - see info

Tax calculation will be finalised at checkout

Other ways to access