5. Real-Space and Multigrid Methods in Computational Chemistry
- Kenny B. Lipkowitz2,
- Thomas R. Cundari3
Published Online: 6 JAN 2009
DOI: 10.1002/9780470399545.ch5
Copyright © 2009 John Wiley & Sons, Inc.
Book Title
Reviews in Computational Chemistry, Volume 26
Additional Information
How to Cite
Beck, T. L. (2009) Real-Space and Multigrid Methods in Computational Chemistry, in Reviews in Computational Chemistry, Volume 26 (eds K. B. Lipkowitz and T. R. Cundari), John Wiley & Sons, Inc., Hoboken, NJ, USA. doi: 10.1002/9780470399545.ch5
Editor Information
- 2
Office of Naval Research, 875 North Randolph Street, Arlington, VA 22203-1995, USA
- 3
Department of Chemistry, University of North Texas, Box 305070, Denton, Texas 76203-5070, USA
Publication History
- Published Online: 6 JAN 2009
- Published Print: 20 OCT 2008
Book Series:
ISBN Information
Print ISBN: 9780470388396
Online ISBN: 9780470399545
- Summary
- Chapter
- References
Keywords:
- computational chemistry - real-space and multigrid (MG) methods;
- parallel cluster and message passing interface (MPI) coding;
- Coulomb potential for molecular simulation
Summary
This chapter contains sections titled:
Introduction
Real-Space Basics
Multigrid Methods
Eigenvalue Problems
Linear Scaling for Electronic Structure?
Other Nonlinear Problems: The Poisson—Boltzmann and Poisson—Nernst—Planck Equations
Some Advice on Writing Multigrid Solvers
Applications of Multigrid Methods in Chemistry, Biophysics, and Materials Nanoscience
Existing Real-Space and Multigrid Codes
Some Speculations on the Future
Acknowledgments
References