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Computational methods for large systems; electronic structure approaches for biotechnology and nanotechnology.

9780470487884

Computational methods for large systems; electronic structure approaches for biotechnology and nanotechnology.

Ed. by Jeffrey R. Reimers.

John Wiley & Sons

2011

659 pages

$135.00

Hardcover

TA418

Researchers in chemistry, environmental sciences, and physics explain some of the computational methods that are available to deal with problems in nanotechnology and biotechnology, and how to select an appropriate one in any particular case. They cover density functional theory as the main workhorse, higher-accuracy methods, more-economical methods, and advanced applications. The topics include principles of density functional theory and equilibrium and non-equilibrium applications, coupled-cluster calculations for large molecular and extended systems, effective low-energy Hamiltonians in condensed matter physics and chemistry, computational methods for modeling free-radical polymerization, and calculating molecular conductance.

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Publication:Reference & Research Book News
Article Type:Book review
Date:Dec 1, 2011
Words:126
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