Basic principles and techniques of molecular quantum mechanics
The primary purpose of the book is to provide a detailed understanding of the principles and techniques of molecular quantum mechanics. It is intended as both a classroom and reference textbook for graduate students, advanced undergraduate students, and researchers with diverse backgrounds. It provides sufficient material to allow the student to proceed from a study of basic principles to understanding contemporary research in molecular quantum mechanics. Many features of this book differentiate it from other available books. First, rigor and depth of understanding were not sacrificed simply for the purpose of brevity. Since the text also serves as a reference book, an extensive bibliography to literature articles and other sources is also included. The book presents a comprehensive set of topics, many of which are omitted in comparable textbooks.
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Vector Spaces and Linear Transformations
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Basic Principles and Techniques of Molecular Quantum Mechanics
Ralph E. Christoffersen
Limited preview - 2013
analogous angular momentum applied approximate arbitrary basis set basis vectors boundary conditions calculated Chapter Chem classical mechanics coefficients commute components concept constant convenient coordinate system corresponding defined degeneracy diagonal discussion easily seen eigenfunctions eigenvalues eigenvectors electron energy levels example expectation value expression given in Eq gives harmonic oscillator Hartree Hartree-Fock Hence Hermitian operators hydrogen atom illustrate important inner product inner product space integral interest inverse isomorphism kinetic energy let us consider linear combination linear operator linearly independent mathematical matrix representation measurement molecular molecule multiplication normalized observable obtain one-dimensional orbitals orthogonal particle particular perturbation Phys polynomials Postulate potential energy problem properties quantum mechanical quantum mechanical Hamiltonian represent result scalar product Schrodinger equation Section set of vectors side of Eq similarity transformation Slater determinant solution solved spin symmetry operations Theorem unitary unitary matrix vector space wavefunction written zero