Chapter 1Some important results in quantum mechanics.pptVIP

光谱学与光谱技术;教材:现代光谱学(Modern Spectroscopy)J. Michael Hollas(英国);;学习目标;Contents ;Chapter 1 Some important results in quantum mechanics;Contents 1.1 Spectroscopy and quantum mechanics 1.2 The electromagnetic spectrum 1.3 The evolution of quantum theory 1.4 The Schr?dinger equation and some of its solutions 1.5 The Born-Oppenheimer approximation;1.1 Spectroscopy and quantum mechanics;Compare between Exp and Cal spectrum of CO2;Example: MPI spectrum of Aniline;1.2 The electromagnetic spectrum;Units and its conversions;Electromagnetic band description;Difference between blackbody and molecular radiation;1.3 The evolution of quantum theory;Planck’s quantum theory(1900):;;Plancks law expressed in terms of different spectral variables;Einstein’s photoelectron effect equation(1905):;Bohr’s explanation to H atom spectrum(1913):;H atom emission spectrum: electron transfers from a upper n orbital to lower m orbital while a photon with DE=hv energy emitted.;de Broglie’s assumption(1924, see book p6):;Electron in an orbit as a standing wave!;Heisenberg’s uncertainty principle(1927): ;The uncertainty DE and Dt in energy E and time t of a state is related with ;1.4 The Schr?dinger equation and some of its solutions;1.4.0 The particle in a box;Energy levels;1.4.0 The particle in a box;1.4.0 The particle in a box;1.4.1 The hydrogen atom;;Rn,l ------- Radial functions;Eigenfunctions (atomic orbitals) ;Eigenvalues: ;Radical functions :Rn,l(r);(a) The radial wave function R (b) The radial probability distribution function R2 (c) The radial charge density function 4pr2R2 ;Spherical harmonic functions: Yl.m(q,f);Real atomic orbital functions;Real atomic orbital functions;;Real atomic orbital functions;;;Contour diagrams of atomic orbital;The shape of the 1s orbital.;The blue zone is where the wave function has negative values while the red zone is where values are positive.;From left to right: 2pz, 2px, and 2py. For each, the blue zones are where the wave functio