Homework (2017)
- Page ID
- 109896
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- Homework 0: Basics
- Homework 0 covers basics that should be mastered on first day, including black body radiation, units, derivatives, integrals and Taylor expansions. No due date.
- Homework 1
- Week 1 homework addresses: Black-body radiation, photoelectric effect and hydrogen atom emission. Due 10/4/2017.
- Homework 2
- Week 2 homework addresses: de Broglie wavelengths, Heisenberg Uncertainty Principle, and wave equations (and their solutions). Due 10/11/2017.
- Homework 3
- Week 3 homework addresses: Schrödinger equation, eigenstate/eigenvalue problems, particle in a box, and expectation values. Due 10/18/2017.
- Homework 3 (Larsen)
- Week 3 homework addresses: Schrödinger equation, eigenstate/eigenvalue problems, particle in a box, and expectation values. Due 10/18/2017.
- Homework 4 (Koski)
- Week 4 homework addresses: normalizing wavefunctions, particle in a box, commutators, basic vibrations, and the quantum harmonic oscillator. Due 10/17/2016.
- Homework 4 (Larsen)
- Week 4 homework addresses: normalizing wavefunctions, particle in a box, commutators, basic vibrations, and the quantum harmonic oscillator. Due 10/17/2016.
- Homework 5
- Week 5 homework addresses: vibrations and rotations of diatomic molecules. Due 11/1/2017.
- Homework 6A
- Homework 6 covers the basics of electronic wavefunctions including nodes, radial distribution functions, angular momentum commutation relationships and standard expectation value like questions: Due 11/8/17.
- Homework 6B: ab initio Calculations
- Homework 6B introduces modern ab initio calculations via the ChemCompute website. Students will use predict the potential energy curve for the dissociation of H_2 which can be used to predict the bond energy and bond length of the bond of molecular hydrogen. The spring constant can be extracted from this calculation, but will not be addressed in this assignment. Due 10/31/16.
- Homework 7A (Koski)
- Due 11/15/2017: Homework 7A covers more details of of electronic wavefunctions including nodes, radial distribution functions, angular momentum commutation relationships and standard expectation value like questions. Also some variational method questions.
- Homework 7A (Larsen)
- Due 11/17/2017 (Larsen): Homework 7A covers more details of of electronic wavefunctions including nodes, radial distribution functions, angular momentum commutation relationships and standard expectation value like questions. Also some variational method questions.
- Homework 7B: ab initio Calculations
- Homework 7B continues the use of modern ab initio calculations. Students will calculate the electronic binding energy, ionization energy, and electron affinity of the 1st and 2nd row atoms. The plot of these data will reveal the period trends and students will rationalize the trends in terms of the electron structure. Electron spin multiplicity is used. Due 11/27/17.
- Homework 8A
- Homework 8A covers variational principle, perturbation theory, secular detwrmininants, indistinguishability, Slater Determinants, and shielding. Due 12/1/2017.
- Homework 8B: ab initio Calculations
- Due 12/4/17: Homework 8B continues the use of modern ab initio calculations. Students will calculate the electronic binding energy of the 1st and 2nd row atoms. They will compare the "accurate" ab initio result that include electron-electron repulsion that reduces the energy of the orbitals. They will calculate the effective nuclear potential that give the "accurate" answer and relate it to Slater's rules, shielding and orbital penetration. Electron spin multiplicity is discussed.
- Homework 9
- Homework 9A covers combining angular momenta, atomic Term Symbols , Hund's rules, Koopmans' theorem, LCAO, Diatomic Molecular Orbitals, Sigma bonding and anti-bondin, Pi bonding and antibonding, Secular Equations (back from Linear Variational method), bond order, bond length, bond energy, paramagnetism and diamagnetism. Due 12/8/2017