Principles of quantum mechanics as applied to chemistry and chemical physics / / Donald D. Fitts [[electronic resource]]

• Record Nr.: UNINA9910454673903321
• Autore: Fitts Donald D. <1932->
• Pubbl/distr/stampa: Cambridge : , : Cambridge University Press, , 1999
• ISBN: 0-511-00763-9; 0-511-81354-6; 0-511-14905-0; 0-511-05224-3
• Descrizione fisica: 1 online resource (ix, 351 pages) : digital, PDF file(s)
• Disciplina: 541.2/8
• Soggetti: Quantum chemistry
• Lingua di pubblicazione: Inglese
• Formato: Materiale a stampa
• Livello bibliografico: Monografia
• Note generali: Title from publisher's bibliographic system (viewed on 05 Oct 2015).
• Nota di bibliografia: Includes bibliographical references (p. 344-346) and index.
• Nota di contenuto: Cover; Half-title; Title; Copyright; Contents; Preface; 1 The wave function; 2 Schrödinger wave mechanics; 3 General principles of quantum theory; 4 Harmonic oscillator; 5 Angular momentum; 6 The hydrogen atom; 7 Spin; 8 Systems of identical particles; 9 Approximation methods; 10 Molecular structure; Appendix A Mathematical formulas; Appendix B Fourier series and Fourier integral; Appendix C Dirac delta function; Appendix D Hermite polynomials; Appendix E Legendre and associated Legendre polynomials; Appendix F Laguerre and associated Laguerre polynomials; Appendix G Series solutions of differential equationsAppendix H Recurrence relation for hydrogen-atom expectation values; Appendix I Matrices; Appendix J Evaluation of the two-electron interaction integral; Selected bibliography; Index
• Sommario/riassunto: This text presents a rigorous mathematical account of the principles of quantum mechanics, in particular as applied to chemistry and chemical physics. Applications are used as illustrations of the basic theory. The first two chapters serve as an introduction to quantum theory, although it is assumed that the reader has been exposed to elementary quantum mechanics as part of an undergraduate physical chemistry or atomic physics course. Following a discussion of wave motion leading to ; Schrödinger's wave mechanics, the postulates of quantum mechanics are presented along with essential mathematical concepts and techniques. The postulates are rigorously applied to the harmonic oscillator, angular momentum, the hydrogen atom, the variation method, perturbation theory, and nuclear motion. Modern theoretical concepts such as hermitian operators, Hilbert space, Dirac notation, and ladder operators are introduced and used throughout. This text is appropriate for beginning graduate students in chemistry, chemical physics, molecular physics and materials science.