At an early stage of learning quantum chemistry, undergraduate students usually encounter the concepts of the particle in a box, the harmonic oscillator, and then the particle on a sphere. Rotational levels of a diatomic molecule can be well approximated by the energy levels of the particle on a sphere. Wave functions for the particle in a…

In this paper we derive an expression for the dynamic electric polarizability of a particle bound by a double delta potential for frequencies below and above the absolute value of the particle's ground state energy. The derived expression will be used to study some of the fundamental features of the system and its representation of real systems.…

Describes a computer program that plots a solid" representation of molecular orbital charge density which can be used to analyze wave functions of molecules. Illustrated with diagrams for formaldehyde. (AL)

Explores graph theory and use of topological indices to predict boiling points. Lists three indices: Wiener Number, Randic Branching Index and Molecular Connectivity, and Molecular Identification numbers. Warns of inadequacies with stereochemistry. (ML)

Investigates ground state electron configurations for some common elements using graphical methods. Bases observed tendencies on following ideas: "occupancy of differing shells, occupancy of differing subshells within a given shell, double occupancy vs. single occupancy of an orbital, and quantum-mechanical exchange." (ML)

Discusses the use of graph theory to aid in the depiction of organic molecular structures. Gives a historical perspective of graph theory and explains graph theory terminology with organic examples. Lists applications of graph theory to current research projects. (ML)