Publisher description for Introduction to computational chemistry / Frank Jensen.


Bibliographic record and links to related information available from the Library of Congress catalog


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Introduction to Computational Chemistry Second Edition provides a comprehensive account of the fundamental principles underlying different methods, ranging from classical to the sophisticated. Although comprehensive in its coverage, this textbook focuses on calculating molecular structures and (relative) energies and less on molecular properties or dynamical aspects. No prior knowledge of concepts specific to computational chemistry are assumed, but the reader will need some understanding of introductory quantum mechanics, linear algebra, and vector, differential and integral calculus.


Library of Congress subject headings for this publication:
Chemistry, Physical and theoretical -- Data processing.
Chemistry, Physical and theoretical -- Mathematics.