By Stephan P. A. Sauer
This can be a textbook at the idea and calculation of molecular electromagnetic and spectroscopic homes designed for a one-semester path with lectures and workout sessions. the assumption of the e-book is to supply thorough heritage wisdom for the calculation of electromagnetic and spectroscopic houses of molecules with sleek quantum chemical software program packages.
The booklet covers the derivation of the molecular Hamiltonian within the presence of electromagnetic fields, and of time-independent and time-dependent perturbation idea within the type of reaction conception. It defines many molecular houses and spectral parameters and provides an advent to fashionable computational chemistry methods.
Read or Download Molecular Electromagnetism: A Computational Chemistry Approach (Oxford Graduate Texts) PDF
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