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)
“Children are as destined biologically to break away as we are, emotionally, to hold on and protect. But thinking independently comes of acting independently. It begins with a two-year-old doggedly pulling on flannel pajamas during a July heat wave and with parents accepting that the impulse is a good one. When we let go of these small tasks without anger or sorrow but with pleasure and pride we give each act of independence our blessing.”
—Cathy Rindner Tempelsman (20th century)
“When Western people train the mind, the focus is generally on the left hemisphere of the cortex, which is the portion of the brain that is concerned with words and numbers. We enhance the logical, bounded, linear functions of the mind. In the East, exercises of this sort are for the purpose of getting in tune with the unconscious—to get rid of boundaries, not to create them.”
—Edward T. Hall (b. 1914)