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Direct linkChoirun Nisaa Rangkuti; Suci Faniandari; A. Suparmi; Yanoar Pribadi Sarwono – Journal of Chemical Education, 2024
As a widely applied theory that has found success across many fields, density functional theory (DFT) is largely taught. Typically, the most effective way to convey DFT concepts is through illustrative examples that are currently lacking in available resources. In this work, we demonstrate total energy calculations for H[subscript 2] using…
Descriptors: Scientific Concepts, Molecular Structure, Science Education, Chemistry
