Quantum Mechanics in Chemistry

• Record Nr.: UNINA9911006808103321
• Autore: Schatz George C. <1949->
• Pubbl/distr/stampa: Newburyport, : Dover Publications, 2012
• ISBN: 0-486-13672-8; 1-62198-590-3
• Edizione: [1st ed.]
• Descrizione fisica: 1 online resource (653 p.)
• Collana: Dover Books on Chemistry
• Altri autori (Persone): RatnerMark A. <1942->
• Disciplina: 541.2/8
• Soggetti: Quantum chemistry; Quantum theory; Chemistry; Physical Sciences & Mathematics; Physical & Theoretical Chemistry
• Lingua di pubblicazione: Inglese
• Formato: Materiale a stampa
• Livello bibliografico: Monografia
• Note generali: Description based upon print version of record.
• Nota di contenuto: Cover; Title Page; Copyright Page; Dedication; Contents; Preface; 1 Review of Basic Concepts in Quantum Mechanics; 1.1 Fundamental Definitions; 1.2 Eigenvalues and Eigenfunctions; 1.3 Approximate Methods; 1.3.1 Time-Independent Perturbation Theory; 1.3.2 Variational Theory; 1.4 Raising and Lowering Operators; 1.4.1 Harmonic Oscillator; 1.4.2 Angular Momentum Operators; 1.5 Two-Body Problems; 1.5.1 Relative-Motion Schrö dinger Equation; 1.5.2 Hydrogen Atom; 1.6 Electronic Structure of Atoms and Molecules; 1.6.1 Many-Electron Hamiltonian; Born-Oppenheimer Approximation; 1.6.2 Pauli Principle; Hartree-Fock Theory1.6.3 LCAO-MO-SCF; 1.6.4 Electronic Structure Methods; Bibliography for Chapter 1; Problems for Chapter 1; 2 Symmetry Considerations: Point Groups and Electronic Structure; 2.1 Group Theory for Point Groups; 2.1.1 Symmetry Operations; 2.1.2 Representations; 2.1.3 Similarity Transformations; 2.1.4 Irreducible Representations; 2.1.5 Character Tables; 2.1.6 Direct (or Tensor) Products; 2.1.7 Clebsch-Gordan Series; 2.2 Applications of Group Theory to Quantum Mechanics; 2.2.1 Symmetry-Adapted Linear Combinations; 2.2.2 Constructions of SALCs; 2.2.3 Hückel Theory ; Applications; Angular Momentum Addition3.3.1 Angular Momentum Addition; Clebsch-Gordan Coefficients; 3.3.2 Properties of Clebsch-Gordan Coefficients; 3.3.3 Worked Examples; 3.3.4 3-j and Higher Symbols; Bibliography for Chapter 3; Problems for Chapter 3; 4 Time-Dependent Quantum Mechanics; 4.1 Introduction; 4.2 Time-Dependent Schrödinger Equation: Basis-Set Solution; 4.3 Time-Dependent Perturbation Theory; 4.3.1 First-Order Time-Dependent Perturbation Theory; 4.3.2 Example: Collision-Induced Excitation of a Diatomic Molecule; 4.3.3 Second-Order Perturbation Theory; 4.3.4 Simplifications and Extensions to Higher Order4.3.5 Time-Ordering Operators; 4.4 Representations in Quantum Mechanics; 4.4.1 Schrödinger Representation; 4.4.2 Heisenberg Representation; 4.4.3 Interaction Representation; 4.5 Transition Probabilities per Unit Time; 4.5.1 Perturbation Theory for a Constant Interaction Potential; 4.5.2 Fermi's Golden Rule; 4.5.3 State-to-State Form of Fermi's Golden Rule; 4.5.4 Treatment of Periodic Interactions; Bibliography for Chapter 4; Problems for Chapter 4; 5 Interaction of Radiation with Matter; 5.1 Introduction; 5.2 Electromagnetic Fields; 5.2.1 Vector Potentials and Wave Equations
• Sommario/riassunto: Intended for graduate and advanced undergraduate students, this text explores quantum mechanical techniques from the viewpoint of chemistry and materials science. Dynamics, symmetry, and formalism are emphasized. An initial review of basic concepts from introductory quantum mechanics is followed by chapters examining symmetry, rotations, and angular momentum addition. Chapter 4 introduces the basic formalism of time-dependent quantum mechanics, emphasizing time-dependent perturbation theory and Fermi's golden rule. Chapter 5 sees this formalism applied to the interaction of radiation and matt