Quantum Theory for Chemical Applications
Quantum Theory for Chemical Applications: From Basic Concepts to Advanced Topics
by Jochen Autschbach
English | 2021 | ISBN: 0190920807 | 754 Pages | PDF EPUB | 46 MB
by Jochen Autschbach
English | 2021 | ISBN: 0190920807 | 754 Pages | PDF EPUB | 46 MB
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.