Unit · year 3
CU-301 · Quantum Chemistry
Threads quantum26 lectures6 results
The Schrodinger equation applied to atoms and molecules.
Lectures
| L01 | The Postulates of Quantum Mechanics — |
| L02 | Operators, Eigenvalues, and Observables — |
| L03 | The Time-Independent Schrödinger Equation — |
| L04 | Normalisation and the Born Interpretation — |
| L05 | The Particle in a One-Dimensional Box |
| L06 | Energy Quantisation and Nodes |
| L07 | The Box in Two and Three Dimensions |
| L08 | Application: Conjugated Polyenes |
| L09 | The Harmonic Oscillator — |
| L10 | The Rigid Rotor and Angular Momentum — |
| L11 | The Hydrogen Atom: Separation of Variables |
| L12 | Radial and Angular Solutions |
| L13 | Orbital Energies and Degeneracy |
| L14 | Many-Electron Atoms and Antisymmetry — |
| L15 | The Variational Principle |
| L16 | Trial Wavefunctions and Optimisation |
| L17 | Perturbation Theory — |
| L18 | The Born–Oppenheimer Approximation |
| L19 | Potential Energy Curves for Diatomics |
| L20 | LCAO Molecular Orbitals |
| L21 | H₂⁺ and the Origin of the Chemical Bond |
| L22 | Overlap, Coulomb, and Resonance Integrals |
| L23 | Hückel Theory |
| L24 | Hückel Theory Applied to Benzene |
| L25 | Aromaticity from Hückel Energies |
| L26 | Synthesis: Bonding from First Principles |
Results in this unit
T-070
The particle in a box
Quantised energies as a consequence of confinement.
T-071
The hydrogen atom
Atomic orbitals as exact solutions of the Schrodinger equation.
T-072
The variational principle
An upper bound on the ground-state energy.
T-073
Huckel theory
pi-electron energies of conjugated molecules.
T-074
The Born-Oppenheimer approximation
Separating slow nuclei from fast electrons.
T-075
LCAO molecular orbitals
Building molecular orbitals from atomic ones.