Physical Chemistry Lecture Notes
Quantum Mechanics, Spectroscopy, and Statistical Mechanics
You will need the Adobe Acrobat Reader to view these files. This program is available over the InterNet or if you are on campus, from the General Server in the"Software for Use at Colby" folder. Most of the lecture notes have the same format: formula lines for the proofs but without the reasons for each step. Room is provided in the right-hand column for you to fill in with the reasons each step was taken. In this way you can concentrate on the flow of the proofs and the meaning of each formula and not worry about copying down each formula correctly for your notes.
Quantum Mechanics
Principles
Steps Toward Quantum Theory
Photoelectric Effect
Some Handy Integrals
Complex Waveforms, eix=cos x+isin x
Complex Waveforms- Euler Identity Proof
Classical Harmonic Oscillator
Particle in a Box
Expectation Values-Particle in a Box
Cryptocyanine
Uncertainty and Wave Packets
Particle in a 2-D Box
Fourier Transforms
Fourier Coefficients
Fourier Integration
Postulates of Quantum Mechanics
Time Dependent Quantum Mechanics
Rotation In a Plane
Rigid Rotor - Rotation in Three Dimensions
Spherical Polar Coordinates
Harmonic Oscillator
Harmonic Oscillator Excited States
Atomic Structure
Ground State of the Hydrogen Atom
Hydrogen Atomic Orbitals
Hydrogen Atom Most Probable and Average Radius
Quantum Mechanics Formula Sheet
Many Electron Atoms-Independent Electron Approximation-Helium
Perturbation Method-Helium
Variation Method- Helium
Self-Consistent Field Theory (SCF)
Shielding
Atomic Orbital Ionization Energies
Aufbau Principle
Pauli Exclusion Principle
The Fine Arts
and Science
Molecular Structure
Atomic Units
Slater Type Orbitals, STO's
Gaussian Basis Sets
Carbon 2p Gaussian Orbital
H2+ Molecular Orbitals - Variation Treatment
Ab initio Molecular Orbital Treatment for H2
Polarization Functions
Electron Correlation - Configuration Interaction
Atomic Orbital Ionization Energies
CNDO Calculations for LiH, Bent, and Linear Water
LiH Molecular Orbitals (CNDO)
MOPAC Instructions for Diatomics
MOPAC Z-matrix Construction
Homonuclear Diatomics Bond Strengths
Self Consistent Field Hartree Fock: Roothaan Equations
Density Functional Theory
Nitrogen Molecular Orbitals (AM1, exp. bond length)
Molecular Orbitals for Polyatomics
Walsh Diagram for Dihydrides
Walsh Diagram for Methylene Triplet State
Walsh Diagram for Ozone
Bent and Linear Water (CNDO)
Linear and Bent Triatomics
Ammonia, NH3, 90 and 109 deg bond angles (AM1)
Calculating the Fukui function using Spartan
Hybridization
sp Linear hybridization
Huckel Molecular Orbital Theory
How to Calculate Determinants
Kramer's Rule and Butadiene HMO Coefficients
Molecular Structure Formula Sheet
Spectroscopy
Rotational Spectroscopy - Diatomics
Rotational Spectroscopy - Symmetric Tops
Vibrational Spectroscopy and Anharmonicity
Classical Normal Mode Analysis
Classical Normal Mode Analysis (text version)
Formaldehyde Vibrational Analysis
Vibration- Rotation Spectroscopy
Diatomic Spectroscopic Constants
Benzene Electronic Absorption Spectrum -- Gas Phase
Acrolein Electronic Absorption
Term Symbols and Molecular Spectroscopy
Birge- Sponer Extrapolation
Absorbance and Fluorescence Spectroscopy
Spin-Spin Splitting in NMR
Electron Spin Resonance
Electron Spin Resonance Examples
Distance Geometry
Spectroscopy Formula Sheet
Diffraction Techniques
Path Length and Phase Difference
Path Length and Phase Difference Power Point version
Systematic Extinctions Power Point
Reciprocal Lattice Examples
Constructing the Reciprocal Lattice
Ewald Construction
Statistical Mechanics
Equipartition Theorem Predictions for Internal Energy and Cv
Averaging and Probability Distributions
Boltzman Distribution and the Most Probable Distribution
Effect of Quantum Size on the Population of States
Canonical Ensemble Partition Functions vs. Molecular Partition Functions
Translational Partition Function and beta
Internal Energy and q
Entropy and the Partition Function
Partition Functions
Partition Functions and Units, Units, Units
Thermodynamic Functions from Partition Functions
Thermodynamics and Internal Degrees of Freedom
Vibrational Contribution to Internal Energy and Free Energy vs. T
Formaldehyde Vibrational Analysis with Formulas
Equilibrium Constants and Statistical Mechanics
Equilibrium Constants and Statistical Mechanics Example
Statistical Mechanical Equilibrium Constants- Cl + H2 -> HCl + H
Reaction Dynamics
Thermodynamic Transition State Theory- Eyring Equation
Thermodynamic Transition State Theory- Gibbs Free Energy
Energy Demand and PE Surfaces
Energy Disposal and PE Surfaces
Statistical Mechanics and Reaction Dynamics Formulas
For more information or corrections contact Tom Shattuck at twshattu@Colby.edu.
Last modified: 3/14/02