Understanding Molecular Orbitals; Sigma Orbitals

Various plots of sigma molecular orbitals in diatomic molecules are discussed.

The Gronwall form of the Schrodinger Equation for Helium

The 1937 paper of Gronwall which concerns an alternative form for the Schrodinger Equation of the 2-electron Helium problem is re-derived in a (hopefully) transparent (possibly pedestrian) manner.

The Three Body Problem and the Runge-Lenz Equivalent Constant of the Motion

The Runge-Lenz equivalent for the Hydrogen Molecular Cation (and the Earth, Moon and Sun) problem is obtained

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.

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.

Nitric Oxide Equilibrium

The explicit formulas for following the passage to chemical equilibrium are derived.

Infinitesimal Rotations

The transition from finite to infinitesimal rotations is explored.

DeMoivre's Theorem

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

Legendre Polynomials, Dipole Moments, Generating Functions, etc..

A standard treatment of aspects of Legendre polynomials is treated here, including the dipole moment expansion, generating functions, etc..

Variational Calculation of the Hydrogen Molecular Cation Using Maple

The variational calculation of the energy of the Hydrogen Molecular (H2+) Cation's LCAO-MO for the sigma and sigma* states as functions of the AO's screening constant and the internuclear distance is carried out explicitly in great detail.

Variational Calculation of the Hydrogen Molecular Cation using Maple (II). The pi and pi-star Orbitals

The pi and pi-star orbitals of the hydrogen molecular cation are obtained using Maple in the same manner as the sigma and sigma-star orbitals were obtained in paper-36.

Normal Modes Using Maple (Water)

The normal modes of water are obtained using Maple