Quantum Theory for Chemical Applications: From Basic Concepts to Advanced Topics

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Jochen Autschbach (UB Distinguished Professor, UB Distinguished Professor, University at Buffalo, State University of New York)

Quantum Theory for Chemical Applications

From Basic Concepts to Advanced Topics

Jochen Autschbach (UB Distinguished Professor, UB Distinguished Professor, University at Buffalo, State University of New York)

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English

Oxford University Press Inc
17 September 2020

Analytical chemistry; Quantum & theoretical chemistry

Quantum theory and computational chemistry have become integral to the fields of chemistry, chemical engineering, and materials chemistry. Concepts of chemical bonding, band structure, material properties, and interactions between light and matter at the molecular scale tend to be expressed in the framework of orbital theory, even when numerical calculations go beyond simple orbital models. Yet, the connections between these theoretical models and experimental observations are often unclear. It is important--now more than ever--that students master quantum theory if they are going to apply chemical concepts. In this book, Jochen Autschbach connects the abstract with the concrete in an elegant way, creating a guiding text for scholars and students alike. Quantum Theory for Chemical Applications covers the quantum theory of atoms, molecules, and extended periodic systems. Autschbach goes beyond standard textbooks by connecting the molecular and band structure perspectives, covering response theory, and more. The book is broken into four parts: Basic Theoretical Concepts; Atomic, Molecular, and Crystal Orbitals; Further Basic Concepts of Quantum Theory; and Advanced Topics, such as relativistic quantum chemistry and molecule-light interactions. The foresight Autschbach provides is immense, and he sets up a solid theoretical background for nearly every quantum chemistry method used in contemporary research. Because quantum theory tells us what the electrons do in atoms, molecules, and extended systems, the pages in this book are full of answers to questions both long-held and never-before considered.

By: Jochen Autschbach (UB Distinguished Professor UB Distinguished Professor University at Buffalo State University of New York)
Imprint: Oxford University Press Inc
Country of Publication: United States
Dimensions: Height: 175mm, Width: 257mm, Spine: 41mm
Weight: 1g
ISBN: 9780190920807
ISBN 10: 0190920807
Pages: 760
Publication Date: 17 September 2020
Audience: Professional and scholarly , Undergraduate
Format: Hardback
Publisher's Status: Active

Jochen Autschbach is a UB Distinguished Professor and Larkin Professor at University at Buffalo, The State University of New York. Autschbach has authored or co-authored over 300 scientific journal articles and academic book chapters.