Introduction to Computational Chemistry by Frank Jensen

By Frank Jensen

creation to Computational Chemistry moment variation offers a accomplished account of the elemental rules underlying assorted tools, starting from classical to the delicate. even if finished in its insurance, this textbook specializes in calculating molecular constructions and (relative) energies and no more on molecular houses or dynamical facets. No earlier wisdom of suggestions particular to computational chemistry are assumed, however the reader will desire a few figuring out of introductory quantum mechanics, linear algebra, and vector, differential and crucial calculus.

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