Carl W. David

Physical Chemistry

Professor (b. 1937)
Postdoctoral Fellow, Yale University, 1962
Ph.D., University of Michigan, 1962
M.S., University of Michigan, 1960
B.S., Case Institute of Technology, 1958

Phone: 860-486-3217
Email : carl.david@uconn.edu

Curriculum Vitae is here.

The Polarization Model for Water and its Ionic Dissociation Products was, at the time, the most faithful fully empirical potential energy scheme ever created for water. It contained within it the ability to treat water, hydronium ion, hydroxide, water dimer ((H₂O)₂), hydrated protons and hydroxide anions, etc. A new model, the Variable Charge Polarization Model, is being developed, which equally treats water and its ionic related relatives, and at the same time, is free of some of the minor defects associated with the original Polarization Model. Parameterization studies continue, and applications of the model to water droplets, bulk water, ionic solutions, and the extension of the model to simple peptides and their zwitterionic forms, etc. are a continuing part of the activity being undertaken.

The ground state electronic state of the Helium Atom is known to have a logarithmic singularity of the form:

which is rarely included in variational calculations on this atom. Investigations of various alternative phrasings of the above form, suitable for variational computations, are under study.

A Computer Assisted Testing scheme advocated since the 1980's is being actively promulgated with an ongoing Physical and Freshman Chemistry development project. Click here to see ongoing results of the Physical Chemistry project. The Freshman Chemistry project can be seen by clicking here.
Computer Guided Reading may be seen at this site which is a graduate level site for Quantum Chemistry. CGR uses the computer to force students to interact with their reading material in an active mode. I am currently writing modules to allow authors to generate CGR materials without knowing how to program in Perl.