FINDIF is a Windows application that numerically solves the one-dimensional (1D) Schrödinger equation and displays the eigenstates, eigenvalues, and probability density of the system. FINDIF accepts both nonperiodic and periodic 1D potential energy functions as input and uses the finite difference method to evaluate the energy of the quantum…

Understanding the concepts of quantum mechanics has always been a challenge for undergraduate students. This is especially so because many of the introductory (analytically solvable) systems and problems discussed in textbooks are seemingly abstract. Using approximate experimental demonstrations of such systems and problems have been shown to be…

Numerous computational and spectroscopic studies have demonstrated the decisive role played by nonadiabatic coupling in photochemical reactions. Nonadiabatic coupling drives photochemistry when potential energy surfaces are nearly degenerate at avoided crossings or truly degenerate at unavoided crossings. The dynamics induced by nonadiabatic…

Quick and real-time plotting equations using the Winplot software can be employed to create accurate hybrid atomic orbitals without complicated scripting. Performing this task on their own, students can more easily understand and remember hybrid atomic orbitals, in terms of shape and orientation.

The concept of wave-particle duality in quantum theory is difficult to grasp because it attributes particle-like properties to classical waves and wave-like properties to classical particles. There seems to be an inconsistency involved with the notion that particle-like or wave-like attributes depend on how you look at an entity. The concept comes…

We propose an articulated computational experiment in which both quantum mechanics (QM) and molecular mechanics (MM) methods are employed to investigate environment effects on the free energy surface for the backbone dihedral angles rotation of the small dipeptide N-Acetyl-N'-methyl-L-alanylamide. This computation exercise is appropriate for an…

The screened Coulomb potential, or Yukawa potential, is used to illustrate the application of the single and linear variational methods. The trial variational functions are expressed in terms of Slater-type functions, for which the integrals needed to carry out the variational calculations are easily evaluated in closed form. The variational…

The main purpose of this symposium was to find new ideas and resources for the evaluation and improvement of physics education on all levels. The papers included in this document are entitled: (1) "Quality of Physics Teaching Through Building Models and Advancing Research Skills"; (2) "Evaluation of Physics Education in Terms of Its…