MOLECULAR ELECTROMAGNETISM: A COMPUTATIONAL CHEMISTRY APPROACH by Stephan P. A. Sauer ( 9780199575398 )

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Title:

MOLECULAR ELECTROMAGNETISM: A COMPUTATIONAL CHEMISTRY APPROACH

By:

Stephan P. A. Sauer

Format:

Hardback

List price:

£80.00

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£70.00

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12.5% off

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£10.00

ISBN 10:

0199575398

ISBN 13:

9780199575398

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Publisher:

OXFORD UNIVERSITY PRESS

Pub. date:

25 August, 2011

Series:

Oxford Graduate Texts

Pages:

320

Description:

A textbook for a one-semester course for students in chemistry, physics and nanotechnology, on the interaction of molecules with electric and magnetic fields as, for example, in light. The book provides the necessary background knowledge for simulating these interactions on computers with modern quantum chemical software.

Synopsis:

This is a textbook on the theory and calculation of molecular electromagnetic and spectroscopic properties designed for a one-semester course with lectures and exercise classes. The idea of the book is to provide thorough background knowledge for the calculation of electromagnetic and spectroscopic properties of molecules with modern quantum chemical software packages. The book covers the derivation of the molecular Hamiltonian in the presence of electromagnetic fields, and of time-independent and time-dependent perturbation theory in the form of response theory. It defines many molecular properties and spectral parameters and gives an introduction to modern computational chemistry methods.

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Imprint:

Oxford University Press

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