MSc Chemistry
Computational Organic Chemistry
Quantum Chemistry: Our Agenda (along with Engel) Postulates in quantum mechanics (Ch. 3) Schrödinger equation (Ch. 2) Simple examples of V(r) Particle.
CHM2S1-A Introduction to Quantum Mechanics Dr R. L. Johnston I: Foundations of Quantum Mechanics 1.Classical Mechanics 1.1 Features of classical mechanics.
Moller Plessett Perturbation Theory
Lecture 4. Application to the Real World Particle in a “Finite” Box (Potential Well) Tunneling through a Finite Potential Barrier References Engel, Ch.
Lecture 14. Basis Set
Lecture 12. Basis Set Molecular Quantum Mechanics, Atkins & Friedman (4 th ed. 2005), Ch. 9.1-9.6 Essentials of Computational Chemistry. Theories and Models,
Lecture 11. Basis Functions & Basis Set Molecular Quantum Mechanics, Atkins & Friedman (4 th ed. 2005), Ch. 9.1-9.6 Essentials of Computational Chemistry.
Lecture 10. Chemical Bonding. H 2 Molecule References Engel, Ch. 12 Ratner & Schatz, Ch. 10 Molecular Quantum Mechanics, Atkins & Friedman (4th ed. 2005),
Lecture 11. Hydrogen Atom References Engel, Ch. 9 Molecular Quantum Mechanics, Atkins & Friedman (4th ed. 2005), Ch.3 Introductory Quantum Mechanics, R.
Lecture 7. Many-Electron Atoms. Pt.5. Good quantum numbers (Terms & Levels) & the Zeeman effect References Ratner Ch.8.6-8.7, 9.7-9.9, Engel Ch.11, Pilar.
