Bibliographic Details
| Title: |
Atomic structure calculations without quantum mechanics: A project-based undergraduate physics course. |
| Authors: |
Bagus, Paul S.1, Mallow, Jeffry V.2 jvmallow@gmail.com |
| Source: |
Latin-American Journal of Physics Education. Mar2026, Vol. 20 Issue 1, p1-6. 6p. |
| Subject Terms: |
*Project method in teaching, *Physics education, Hartree-Fock approximation, Atomic structure, Quantum mechanics, Molecular orbitals, Computational physics |
| Abstract (English): |
The Hartree-Fock method for calculating the wavefunctions and energies of many-electron systems provides exceptional insights into the nature of atoms, molecules, and solids. It can be used to explain how properties are related to each other, how they can be calculated, how they can be qualitatively understood in a conceptual way, as well as compared to experiment. We show that the theory can be taught with only the introductory quantum mechanics taught in Modern Physics, plus ancillary courses as prerequisites; i.e., to third year physics and chemistry undergraduates. We propose a project-based course on Hartree-Fock theory, appropriate for students who have not yet had a full course in quantum mechanics. Calculations can be done on a PC. [ABSTRACT FROM AUTHOR] |
| Abstract (Spanish): |
El método de Hartree-Fock para calcular las funciones de onda y las energías de sistemas de muchos electrones proporciona información excepcional sobre la naturaleza de los átomos, las moléculas y los sólidos. Permite explicar cómo se relacionan las propiedades entre sí, cómo se pueden calcular, cómo se pueden comprender cualitativamente de forma conceptual y cómo se pueden comparar con los resultados experimentales. Demostramos que la teoría se puede enseñar con solo los conocimientos básicos de mecánica cuántica impartidos en Física Moderna, más cursos complementarios como prerrequisitos; es decir, a estudiantes de tercer año de física y química. Proponemos un curso basado en proyectos sobre la teoría de Hartree-Fock, adecuado para estudiantes que aún no han cursado un programa completo de mecánica cuántica. Los cálculos se pueden realizar en un ordenador. [ABSTRACT FROM AUTHOR] |
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| Database: |
Education Research Complete |
