Skip to main content
Chemistry LibreTexts

Assignments

  • Page ID
    143054
  • \( \newcommand{\vecs}[1]{\overset { \scriptstyle \rightharpoonup} {\mathbf{#1}} } \) \( \newcommand{\vecd}[1]{\overset{-\!-\!\rightharpoonup}{\vphantom{a}\smash {#1}}} \)\(\newcommand{\id}{\mathrm{id}}\) \( \newcommand{\Span}{\mathrm{span}}\) \( \newcommand{\kernel}{\mathrm{null}\,}\) \( \newcommand{\range}{\mathrm{range}\,}\) \( \newcommand{\RealPart}{\mathrm{Re}}\) \( \newcommand{\ImaginaryPart}{\mathrm{Im}}\) \( \newcommand{\Argument}{\mathrm{Arg}}\) \( \newcommand{\norm}[1]{\| #1 \|}\) \( \newcommand{\inner}[2]{\langle #1, #2 \rangle}\) \( \newcommand{\Span}{\mathrm{span}}\) \(\newcommand{\id}{\mathrm{id}}\) \( \newcommand{\Span}{\mathrm{span}}\) \( \newcommand{\kernel}{\mathrm{null}\,}\) \( \newcommand{\range}{\mathrm{range}\,}\) \( \newcommand{\RealPart}{\mathrm{Re}}\) \( \newcommand{\ImaginaryPart}{\mathrm{Im}}\) \( \newcommand{\Argument}{\mathrm{Arg}}\) \( \newcommand{\norm}[1]{\| #1 \|}\) \( \newcommand{\inner}[2]{\langle #1, #2 \rangle}\) \( \newcommand{\Span}{\mathrm{span}}\)\(\newcommand{\AA}{\unicode[.8,0]{x212B}}\)

    • 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 10/7/2020.
    • Homework 2
      Week 2 homework addresses: de Broglie wavelengths, Heisenberg Uncertainty Principle, and wave equations (and their solutions).
    • Homework 3
      Week 3 homework addresses: Schrödinger equation, eigenstate/eigenvalue problems, particle in a box, and expectation values.
    • Homework 4
      Week 4 homework addresses: normalizing wavefunctions, particle in a box, commutators, basic vibrations, and the quantum harmonic oscillator.
    • Homework 5
      Week 5 homework addresses: vibrations and rotations of diatomic molecules.
    • 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:
    • 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.
    • Homework 7A
      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.
    • Homework 8A
      Homework 8A covers variational principle,  perturbation theory, secular determininants, indistinguishability, Slater Determinants, and shielding.
    • Homework 9
      Homework 9 covers combining angular momenta, atomic Term Symbols , Hund's rules, Koopmans' theorem,  LCAO, Diatomic Molecular Orbitals, Sigma bonding and anti-bonding, Pi bonding and antibonding, Secular Equations (back from Linear Variational method), bond order, bond length, bond energy, paramagnetism and diamagnetism.


    Assignments is shared under a CC BY-NC-SA 4.0 license and was authored, remixed, and/or curated by LibreTexts.

    • Was this article helpful?