Introduction to the Quantum World of Atoms and Molecules

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World Scientific, 2001 - 460 páginas
This invaluable book provides a balanced and integrated introduction to the quantum world of atoms and molecules. The underlying basis of quantum mechanics is carefully developed, with respect for the historical tradition and from a molecular angle. The fundamental concepts in the theory of atomic and molecular structure are thoroughly discussed, as are the central techniques needed in quantum-chemical applications. Special attention is paid to exposing and clarifying the common ground of Hartree?Fock theory and density-functional theory. Throughout the text, the discussion is pedagogically obliging and aims at simplicity and mathematical clarity, while avoiding the use of advanced mathematics. End-of-chapter problems supplement the main text.
 

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Contenido

Chapter 2
21
The Birth of Quantum Mechanics
22
Wave Mechanics
51
20
57
Particle in a
81
QuantumMechanical Operators
93
93
112
165
128
The Periodic Table by Electron Counting
246
Atomic Terms Wavefunctions and Energies
367
Electronic Terms of Diatomic Molecules
388
The HartreeFock Method
396
DensityFunctional Theory
412
A Complex Numbers and Quantum Mechanics
426
Curvilinear Coordinate Systems
434
Surface Spherical Harmonics and Special Functions
440

The Central Field Problem
165
The Hydrogen Atom
166
The Spinning Electron
218

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