Computational Chemistry
- ICON-EDiT is a FORTRAN program
package that performs extended-Hückel molecular orbital and oscillator
strength calculations on molecules. The complete program package can be downloaded.
Program sources, examples and a manual are available as well.
- BICON-CEDiT is a set of FORTRAN
programs that perform extended-Hückel crystal orbital and oscillator strength
calculations on solids. The complete program package can be downloaded.
Program sources, examples, manual and k-point sets are available as well.
- Introduction to Basic Terms of Band Structures
Marc Meyer, Stephan Glaus, Gion Calzaferri
J. Chem. Educ., 2003, 80, 1221, Abstract
Zipped Mathcad 2001i Files (10.6 MB!)
Zipped Mathcad 2001 Files (0.7 MB)
Non-interactive PDF version
Link to article in J. Chem. Educ.
- MathCad programs
