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Advanced Structural Inorganic Chemistry$
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Wai-Kee Li, Gong-Du Zhou, and Thomas Mak

Print publication date: 2008

Print ISBN-13: 9780199216949

Published to Oxford Scholarship Online: May 2008

DOI: 10.1093/acprof:oso/9780199216949.001.0001

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Introduction to Quantum Theory

Introduction to Quantum Theory

(p.3) 1 Introduction to Quantum Theory
Advanced Structural Inorganic Chemistry

Wai-Kee Li

Gong-Du Zhou

Thomas Chung Wai Mak

Oxford University Press

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

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