計算化学：分子・量子力学の理論と応用への入門（テキスト・第４版）
Computational Chemistry
Introduction to the Theory and Applications of Molecular and Quantum Mechanics
Lewars, Errol G.
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Notable updates include a review of references up to mid-2023, encompassing recent developments in scientific journals, books, and software. The evolving prominence of density functional theory (DFT) is emphasized, and attention is given to the increasing application of artificial intelligence in computational chemistry.