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Lectures on Chemical Bonding and Quantum Chemistry (eBook)

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  • 108,280 Words
  • 460 Pages

The concept of a chemical bond evolved from a variety of experimental observations. It became useful to understand, at times even predict, the molecular structure, reactivity and mechanism of chemical reactions. Every aspect of the concept of bonding received a quantitative interpretation from the advent of quantum mechanics and its application to chemistry.

In Lectures on Chemical Bonding and Quantum Chemistry the reader will find a comprehensive discourse on the basic interpretation of the chemical bond as well as current understanding in terms of a 'dancing' molecule that not only travels, rotates and pulsates around an equilibrium molecular structure, but also interacts and collides with other molecules, thereby transferring linear and angular momentum characteristics and adjusting total energies. One will also find a thorough survey of quantum mechanical methodologies for calculation of molecular characteristics in specific states and their changes under spectroscopic transitions, tunneling, electron and proton transfer phenomena, and so on. Guides to more advanced levels of theory are also provided.

Contents:
  • Preface
  • Chemical Bond and Molecular Geometry:
    • Introduction
    • Fundamental Background
    • Exactly Solvable Problems
    • The Variation Method
    • Application of the Variation Method: Electronic Structure of Atoms
    • Application of the Linear Variation Method: Molecular Structure
    • Stationary State Perturbation Theory
    • Many-Electron Function
  • Elementary Quantum Chemistry:
    • The Matrix Representations
    • Basic Operator Formalism
    • Angular Momentum Revisited
    • Explicit Treatment of Many-Electron Atoms
    • Explicit Treatment of Molecules
    • Quantum Mechanical Tunnel Effects
    • Time-Dependent Perturbation Theory
    • Aspects of Many-Body Perturbation Theory
  • Appendices:
    • Fundamental Physical Constants and Periodic Table
    • Useful Mathematical Relations
    • Symmetry of Molecules
  • References
  • Author Index
  • Subject Index

Readership: Physical Chemistry Students, This book represents the text for two core courses of the two-year MSc Chemistry programme in almost all universities in India — 'bonding phenomenon' for all chemistry students of Year I and 'quantum chemistry' for all Second-Year students specializing in physical chemistry. Lecture Note;Chemical Bond;Quantum Chemistry;BS and MS Levels;Text Book00

The concept of a chemical bond evolved from a variety of experimental observations. It became useful to understand, at times even predict, the molecular structure, reactivity and mechanism of chemical reactions. Every aspect of the concept of bonding received a quantitative interpretation from the advent of quantum mechanics and its application to chemistry.

In Lectures on Chemical Bonding and Quantum Chemistry the reader will find a comprehensive discourse on the basic interpretation of the chemical bond as well as current understanding in terms of a 'dancing' molecule that not only travels, rotates and pulsates around an equilibrium molecular structure, but also interacts and collides with other molecules, thereby transferring linear and angular momentum characteristics and adjusting total energies. One will also find a thorough survey of quantum mechanical methodologies for calculation of molecular characteristics in specific states and their changes under spectroscopic transitions, tunneling, electron and proton transfer phenomena, and so on. Guides to more advanced levels of theory are also provided.

Contents:
  • Preface
  • Chemical Bond and Molecular Geometry:
    • Introduction
    • Fundamental Background
    • Exactly Solvable Problems
    • The Variation Method
    • Application of the Variation Method: Electronic Structure of Atoms
    • Application of the Linear Variation Method: Molecular Structure
    • Stationary State Perturbation Theory
    • Many-Electron Function
  • Elementary Quantum Chemistry:
    • The Matrix Representations
    • Basic Operator Formalism
    • Angular Momentum Revisited
    • Explicit Treatment of Many-Electron Atoms
    • Explicit Treatment of Molecules
    • Quantum Mechanical Tunnel Effects
    • Time-Dependent Perturbation Theory
    • Aspects of Many-Body Perturbation Theory
  • Appendices:
    • Fundamental Physical Constants and Periodic Table
    • Useful Mathematical Relations
    • Symmetry of Molecules
  • References
  • Author Index
  • Subject Index

Readership: Physical Chemistry Students, This book represents the text for two core courses of the two-year MSc Chemistry programme in almost all universities in India — 'bonding phenomenon' for all chemistry students of Year I and 'quantum chemistry' for all Second-Year students specializing in physical chemistry. Lecture Note;Chemical Bond;Quantum Chemistry;BS and MS Levels;Text Book00


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