Fundamentals of Quantum Chemistry By James E. House 2nd Ed (informative)
Free download Fundamentals of Quantum Chemistry By James E. House 2nd Ed
2nd Edition
Authors of: Fundamentals of Quantum Chemistry By James E. House 2nd Ed
James E. House
Table of Contents in Fundamentals of Quantum Chemistry By James E. House 2nd Ed
Preface to the Second Edition
The second edition of this work builds upon the strong foundation established in the first, incorporating new insights and expanded content to provide a deeper understanding of quantum mechanics. It is a reflection of ongoing advancements and feedback from the scientific community. This edition aims to make complex topics accessible while maintaining rigorous detail.
Preface to the First Edition
The first edition marked the beginning of an exploration into the fascinating world of quantum mechanics. Designed for students and professionals alike, it introduced fundamental concepts and methodologies with clarity and precision. This preface acknowledges the collaborative efforts and dedication that went into shaping this comprehensive guide.
Chapter 1: The Early Days
This chapter provides an overview of the historical developments that laid the groundwork for quantum mechanics. It explores key phenomena and discoveries that challenged classical physics:
1.1 Blackbody Radiation
Examination of Planck’s contribution and the quantization of energy.
1.2 The Line Spectrum of Atomic Hydrogen
Insights into spectral lines and their implications for atomic structure.
1.3 The Bohr Model for the Hydrogen Atom
A revolutionary model explaining atomic stability and quantized orbits.
1.4 The Photoelectric Effect
Einstein’s explanation of light as particles (photons) and its groundbreaking impact.
1.5 Particle–Wave Duality
A discussion of de Broglie’s hypothesis and the wave nature of particles.
1.6 The Heisenberg Uncertainty Principle
An exploration of the limits of precision in measurement and its philosophical implications.
Chapter 2: The Quantum Mechanical Way of Doing Things
This chapter introduces the formal framework of quantum mechanics, detailing its foundational principles:
2.1 The Postulates
The core assumptions underpinning quantum theory.
2.2 The Wave Equation
Introduction to Schrödinger’s equation and its significance.
2.3 Operators
Mathematical tools for describing physical observables.
2.4 Eigenvalues
Key to understanding quantization in quantum systems.
2.5 Wave Functions
The role of wave functions in predicting probabilities and physical outcomes.
Chapter 3: Particles in Boxes
This chapter explores the quantum behavior of particles confined in potential wells:
3.1 The Particle in a One-Dimensional Box
Analysis of quantized energy levels and wavefunctions.
3.2 Separation of Variables
A technique for solving multidimensional problems.
3.3 The Particle in a Three-Dimensional Box
Extending concepts to higher dimensions.
Chapter 4: The Hydrogen Atom
4.1 Schrödinger’s Solution to the Hydrogen Atom Problem
A detailed derivation and its implications for atomic theory.
4.2 Interpreting the Solutions
Understanding quantum numbers and their physical significance.
4.3 Orthogonality
A key mathematical property of wave functions.
4.4 Approximate Wave Functions and the Variation Method
Techniques for solving complex quantum systems.
Chapter 5: More Complex Atoms
5.1 The Helium Atom
Extending quantum mechanics to multi-electron systems.
5.2 Slater Wave Functions
Simplified representations for electron interactions.
5.3 Electron Configurations
Understanding the arrangement of electrons in atoms.
5.4 Spectroscopic States
Exploring the interaction of atoms with light.
Chapter 6: Vibrations and the Harmonic Oscillator
6.1 The Vibrating Object
Classical and quantum perspectives on vibrations.
6.4 The Quantum Mechanical Harmonic Oscillator
A cornerstone model in quantum mechanics.
6.7 Population of States
Statistical mechanics and the distribution of energy states.
Chapter 7: Molecular Rotation and Spectroscopy
7.1 Rotational Energies
The quantization of rotational motion.
7.5 Molecular Spectra
Applications in determining molecular structure and bonds.
Chapter 8: Barrier Penetration
8.1 The Phenomenon of Barrier Penetration
Quantum tunneling and its surprising consequences.
8.5 The Scanning Tunneling Microscope
A practical application of tunneling in imaging surfaces.
Chapter 9: Diatomic Molecules
9.1 An Elementary Look at a Covalent Bond
Understanding bond formation through quantum mechanics.
9.3 The LCAO–MO Method
A method for constructing molecular orbitals.
9.6 Heteronuclear Diatomic Molecules
Extending concepts to molecules with different atoms.
Chapter 10: Symmetry
10.1 What Symmetry Means
Symmetry as a fundamental concept in chemistry and physics.
10.5 Construction of Molecular Orbitals
Using symmetry to simplify orbital interactions.
Chapter 11: Hückel Molecular Orbital Methods
11.1 The Hückel Method
A semi-empirical approach to molecular orbitals.
11.6 Orbital Symmetry and Reactions
Predicting reactivity based on symmetry principles.
Chapter 12: More Complete Molecular Orbital Methods
12.1 The Basis Set
Expanding wave functions for greater accuracy.
12.3 The HF-SCF (Hartree–Fock Self-Consistent Field) Approach
A sophisticated method for calculating electronic structures.
Answers to Selected Problems
A collection of solutions to enhance understanding and reinforce learning.
Index
A comprehensive index for quick reference and navigation.’
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Free download Fundamentals of Quantum Chemistry By James E. House 2nd Ed
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