LCAO-MO's are not Eigenfunctions of the H_2^+ Hamiltonian

A simple LCAO-MO for the hydrogen molecule cation is tested for eigenfunctionality and found to be flawed.

A More Sophisticated Treatment of Collisions

An improved argument about collisions in gas phase kinetics is elaborated upon, based on textbook arguments which oversimplify the concepts.

Guessing Harmonic Oscillator Wavefunctions Using Maple

The guessing of eigenfunctions is not trivial at higher quantum numbers, no matter what the system being considered. Instead of guessing, one can employ a symbolic calculus progam (Maple in this case) to aid in the reasoning process.

Advanced Physical Chemistry Problems (V), Thermodynamics (ThermoChemistry)

This is a set of P. Chem. problems posed at a slightly higher level than the normal textbook level, for students who are continuing in the study of this subject.

Parameterizing a Simple Potential Energy Function Appropriate for Vibrational Frequencies Using Molecular Dynamics

A Maple scheme for quickly parameterizing vibrational potential energy functions is presented. As an example, the potential energy function's parameters for the vibrational motions in H_2O_2 are obtained assuming the simplest potential energy function. This paper was originally written as a research paper, but rejected by the referees. It is therefore being edited into an ``educational'' paper for student usage.

Frobenius Solution for Legendre's Equation, Rodrigue's Formula and Normalization

The Frobenius solution to Legendre/s equation is developed in detail as is Rodrigue's formula, which is employed to normalize Legendre polynomials.

The Hartree-Fock Method Applied to Helium's Electrons

The difficulties of applying the Hartree-Fock method to many body problems is illustrated by treating Helium's electrons up to the point where tractability vanishes. Second, the problem of applying Hartree-Fock methods to the helium atom's electrons, when they are constrained to remain on a sphere, is revisited. The 6-dimensional total energy operator is reduced to a 2-dimensional one, and the application of that 2-dimensional operator in the Hartree-Fock mode is discussed.

The Harmonic Oscillator's Frobenius Solution

The Frobenius solution to the differential equations associated with the harmonic oscillator (QM) is carried out in detail.

Continued Fraction Solutions to Hermite's, Legendre's and Laguerre's Differential Equation

The continued fraction method for solving differential equations is illustrated using three famous differential equations used in quantum chemistry.

Aromic Units, Why We Need Them and How They Work

Quantum Chemistry is usually carried out using Atomic Units, so a careful discussion of these units is warranted.

Electrostatics for Chemists

This is an introduction to electrostatics written for those interested in dipole moments, induced dipole moments, etc..

Eulerian Angles

Euler's angles are used to describe rotation using independent coordinates. They are useful in rotation spectroscopy studies, hence this introduction.

Compact Singlet S Helium Wave functions(corrected)

This is a corrected version of the Phys. Rev. A 74,14501 (2006) article. The result is improved slightly from that in the original paper.

Butadiene via the Huckel Scheme (using Maple)

The Huckel Molecular Orbtial method is used to treat the MO's of butadiene. The method employs analytical tools and Maple.

Introductory Mathematics for Quantum Chemistry

An elementary discussion of some of the mathematics employed in studying Quantum Chemistry in a style appropriate for persons who have not taken advanced mathematical instruction.