Introduction to the Fast Multipole Method

This book introduces the reader to the theory and methodology of quantum-mechanical modeling of chemical and biological systems. Given the immense complexity of such systems, there is a constant search for new methods.

Introduction to the Fast Multipole Method introduces the reader to the theory and computer implementation of the Fast Multipole Method. It covers the topics of Laplace’s equation, spherical harmonics, angular momentum, the Wigner matrix, the addition theorem for solid harmonics, and lattice sums for periodic boundary conditions, along with providing a complete, self-contained explanation of the math of the method, so that anyone having an undergraduate grasp of calculus should be able to follow the material presented. The authors derive the Fast Multipole Method from first principles and systematically construct the theory connecting all the parts.

Key Features

Introduces each topic from first principles

Derives every equation presented, and explains each step in its derivation

Builds the necessary theory in order to understand, develop, and use the method

Describes the conversion from theory to computer implementation

Guides through code optimization and parallelization

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