Pauli Spin Matrices

The Pauli Spin Matrix representation of Spin Operators in Quantum Mechanics are explicitly demonstrated and illustrated in detail for one and two spin systems.

A Hartree-Fock Example Using Helium

The Hartree-Fock method is applied to Helium's electrons to show explicitly how the coupled equations reflect the interactions between electrons.

Invitation to Magnetism and Magentic Resonance, More on Magnetic Resonance

One and two spin systems are analyzed.

Molecular Mechanics of Water Monomer

Simulation of the classical molecular dynamics of a water molecule can be useful in explaining normal modes of motion, Fourier Transforms, and fundamental frequencies of vibration, as illustrated herein.

The Kepler Problem (the road to Bohr)

The classical Kepler problem is reviewed in depth in preparation to studying the Bohr model of the atom.

Laguerre Polynomials, an Introduction

The radial part of the Schrodinger Equation for the H-atom's electron involves Laguerre polynomials, hence this introduction.

Fourier Series by Least Square Minimization

An introduction to Fourier Series based on the minimization of the least square error between an approximate series representation and the exact function.

Infinitesimal Rotations

The transition from finite to infinitesimal rotations is explored.

Rotations, Precursor to Rotational Spectroscopy, and Group Theory

Rotations are an integral part of the study of rotational spectroscopy, as well as a part of group theory, hence this introduction.

Alternative Formulations for Angular Momentum Operators, Cartesian and Spherical Polar Forms

The conversion between representations of angular momentum in spherical polar and cartesian form is discussed.

DeMoivre's Theorem

DeMoivre's theorem is of great utility in some parts of physical chemistry and is re-introduced here.

Ehrenfest's Theorem

A one dimensional presentation of Ehrenfest's theorem is presented.

Using the Morse Potential to Understand Reaction Coördinates using Maple

The interactions employed in the “linear” reaction A(g)+BC(g) -> AB(g) + C(g) in a “one dimensional world” can be used to illustrate the “reaction coördinate”, using Maple, in a manner which allows students to inspect potential energy surfaces, make contour maps of those surfaces, and conceptually construct the “reaction coördinate” by tracing the local minimum path on the surface created.“one dimensional world” can be used to illustrate the “reaction coördinate”, using Maple, in a manner which allows students to inspect potential energy surfaces, make contour maps of those surfaces, and conceptually construct the “reaction coördinate” by tracing the local minimum path on the surface created.

Multiple-Choice Testing in Science and Technology Courses

Wide spread and continuing use of multiple-choice testing in technical subjects is leading to a mindset amongst students which is antithetical with actual use of intellect.

Triatomic Molecular Orbitals

If elementary Quantum Chemistry stops at diatomic molecules, some students may be left with false impressions concerning how one builds polyatomic molecule's LCAO-MOs. This reading discusses building such molecular orbitals from atomic orbitals centered at different spatial coordinates.