Chapter

Introduction to Quantum Theory

Wai-Kee Li, Gong-Du Zhou and Thomas Chung Wai Mak

in Advanced Structural Inorganic Chemistry

Published in print March 2008 | ISBN: 9780199216949
Published online May 2008 | e-ISBN: 9780191711992 | DOI: http://dx.doi.org/10.1093/acprof:oso/9780199216949.003.0001

Series: International Union of Crystallography Texts on Crystallography

 Introduction to Quantum Theory

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This chapter covers the rudiments of quantum theory, including the dual nature of light and matter, the Uncertainty Principle and probability concept, the electronic wavefunction, and the probability density function. Numerical examples are given to show that given the electronic wavefunction of a system, the probability of finding an electron in a volume element around a certain point in space can be readily calculated. Finally, the electronic wave equation, the Schrödinger equation, is introduced. This discussion is followed by the solution of a few particle-in-a-box problems, with the ‘box’ having the shape of a wire (one-dimensional), a cube, a ring, or a triangle. Where possible, the solutions of these problems are then applied to a chemical system.

Keywords: de Broglie wavelength; degeneracy of states; dual nature of matter; electronic wavefunction; free-electron model; Hamiltonian operator; orthonormality of wavefunctions; particle in a box; probability density function; Schrödinger equation

Chapter.  11355 words.  Illustrated.

Subjects: Crystallography

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