![]() Lesson 10 ( Vibrational Spectroscopy ) uses basis set / matrix methods introduced in Lesson 6 to calculate a potential energy surface for a diatomic and then calculates the rovibrational energy levels and associated Q- and R-branches. Lesson 9 ( Geometry Optimization and Normal Modes ) explores a very common quantum mechanical calculation, geometry optimization, and a subsequent normal mode analysis of the vibrational modes in the molecule. Lesson 8 ( Koopman's Theorem and Drug Activities ) introduces Koopman's theorem for approximating ionization energies with applications to small isoelectronic binary compounds and to non-steroidal anti-inflammatory drug (NSAID) activities. Lesson 7 ( Molecular Orbitals ) focuses on molecular orbital theory as applied to hydrogen fluoride. ![]() ![]() Lesson 6 ( Variational Theorem ) introduces the variational theorem and related basis set / matrix methods for the particle in a box and fir the Morse oscillator for hydrogen chloride. Lesson 5 ( Vibrational Motion and the Harmonic Oscillator ) explores vibrational motion and the harmonic oscillator approximation for several diatomic molecules. Lessons 3 and 4 ( Particle in a Box (H chain) and Particle in a Box (Dyes) ) involve the Schrödinger equation and its solutions with applications to a chain of hydrogen atoms and absorption spectra of conjugated dyes (a common undergraduate physical chemistry experiment), respectively. Lessons 1 and 2 ( Blackbody Radiation and Photoelectric Effect ) correspond to early experiments related to the quantization of energy. While lessons are largely independent of each other and may be done in any order, the following suggestion corresponds to the ordering of topics typically encountered in atomic and molecular physics. As such, each lesson can be used 'as-is' or modified as desired to be used by students in a classroom setting, laboratory setting, or as an out of class guided inquiry assignment. In some cases, questions are asked of the student with the answer provided as a subsection. However, in order to show students and instructors how the calculations are set up, each lesson contains the Maple syntax and coding required to interact with the selected topic. The aim of these lessons is to provide students and/or instructors ways to interact with selected topics using the QuantumChemistry package exclusively within Maple with no need to collate multiple software packages! Lessons are written to emphasize learning objectives rather than Maple coding. The QuantumChemistry package in Maple allows physics students to perform quantum calculations on atoms and molecules and represents a powerful tool for introducing, exploring, and applying concepts encountered throughout the physics curriculum. Suggested Curriculum for Physics - Quantum Mechanics
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