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Direct linkElizabeth Stippell; Alexey V. Akimov; Oleg V. Prezhdo – Journal of Chemical Education, 2023
We report an educational tool for the upper level undergraduate quantum chemistry or quantum physics course that uses a symbolic approach via the PySyComp Python library. The tool covers both time-independent and time-dependent quantum chemistry, with the latter rarely considered in the foundations course due to topic complexity. We use quantized…
Descriptors: Undergraduate Students, College Science, Quantum Mechanics, Chemistry
