Interpreting Molecular Wave Functions
The atoms in molecules model developed by Richard Bader was developed in order to effectively link the quantum mechanical picture of a molecule, as an electronic wavefunction, to chemically useful older models such as the theory of Lewis pairs and the valence bond model. Bader has demonstrated that these empirically useful models are connected with the topology of the quantum charge density. This method improves on the use of Mulliken population analysis.
Read more about this topic: Computational Chemistry
Famous quotes containing the words interpreting, wave and/or functions:
“Drawing is a struggle between nature and the artist, in which the better the artist understands the intentions of nature, the more easily he will triumph over it. For him it is not a question of copying, but of interpreting in a simpler and more luminous language.”
—Charles Baudelaire (1821–1867)
“The city is loveliest when the sweet death racket begins. Her own life lived in defiance of nature, her electricity, her frigidaires, her soundproof walls, the glint of lacquered nails, the plumes that wave across the corrugated sky. Here in the coffin depths grow the everlasting flowers sent by telegraph.”
—Henry Miller (1891–1980)
“Let us stop being afraid. Of our own thoughts, our own minds. Of madness, our own or others’. Stop being afraid of the mind itself, its astonishing functions and fandangos, its complications and simplifications, the wonderful operation of its machinery—more wonderful because it is not machinery at all or predictable.”
—Kate Millett (b. 1934)