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)
“I don’t know a great deal about life in Washington for women—I spent a summer there once working in the White House, and my main memories of the experience have to do with a very bad permanent wave I have always been convinced kept me from having a meaningful relationship with President Kennedy ...”
—Nora Ephron (b. 1941)
“Mark the babe
Not long accustomed to this breathing world;
One that hath barely learned to shape a smile,
Though yet irrational of soul, to grasp
With tiny finger—to let fall a tear;
And, as the heavy cloud of sleep dissolves,
To stretch his limbs, bemocking, as might seem,
The outward functions of intelligent man.”
—William Wordsworth (1770–1850)