MATHEMATICA PACKAGES
Molecular
Graphics Package 1.01
David Nordfors
The package provides routines for plotting molecules and molecular displacements,
for example, vibrational modes, in three dimensions. Bonds may be generated
automatically. Some commands: DrawNuclei, DrawBonds, DrawMolecule, DrawVectors,
DrawDistortion.
Perturbation Theory Package 1.01
David Nordfors
The package provides routines for first- and second-order Rayleigh-Schroedinger
perturbation theory in a matrix hamiltonian formalism, i.e., first and
second order corrections to eigenvalues and eigenvectors of a matrix when
a small perturbation is added to the matrix.