Concepts and Methods in Modern Theoretical Chemistry

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Concepts and Methods in Modern Theoretical Chemistry is written by Swapan Kumar Ghosh and published by . It's available with International Standard Book Number or ISBN identification 0367380323 (ISBN 10) and 9780367380328 (ISBN 13).

Offering chapters written by experts in their fields, this book focuses on the electronic structures and reactivities of atoms and molecules. It enables readers to learn how concepts from ab initio quantum chemistry and density functional theory (DFT) can be used to describe, understand, and predict electronic structure and chemical reactivity. Paying particular attention to current trends in the field, this book introduces modern electronic structure theory to the readers and describes various reactivity-related concepts like isomorphic local hardness, molecular electrostatic potentials, and spin vorticity.