Advanced Physical Chemistry G. H CHEN Department of chemistry University ofHong Kong 明
Advanced Physical Chemistry G. H. CHEN Department of Chemistry University of Hong Kong
Quantum Chemistr G.H. Chen Department of chemistry University ofHong Kong 明
Quantum Chemistry G. H. Chen Department of Chemistry University of Hong Kong
Emphasis Hartree-Fock method Concepts Hands-on experience Text book Quantum Chemistry, 4th ed Iran. levine http:/yangtze.hkuhk/lecture/chem3504-3.ppt
Emphasis Hartree-Fock method Concepts Hands-on experience Text Book “Quantum Chemistry”, 4th Ed. Ira N. Levine http://yangtze.hku.hk/lecture/chem3504-3.ppt
Beginning of Computational Chemistry In 1929, Dirac declared, " The underlying physical laws necessary for the mathematical theory of.the whole of chemistry are thus completely know, and the difficulty is only that the exact application of these laws leads to equations much too complicated to be soluble Dirac
In 1929, Dirac declared, “The underlying physical laws necessary for the mathematical theory of ...the whole of chemistry are thus completely know, and the difficulty is only that the exact application of these laws leads to equations much too complicated to be soluble.” Beginning of Computational Chemistry Dirac
Quantum Chemistry Methods Ab initio molecular orbital methods Semiempirical molecular orbital methods Density functional method
Quantum Chemistry Methods • Ab initio molecular orbital methods • Semiempirical molecular orbital methods • Density functional method