书目名称 | Molecular Properties via Induced Current Densities |
编辑 | Francesco Ferdinando Summa |
视频video | http://file.papertrans.cn/639/638485/638485.mp4 |
概述 | Nominated as an outstanding Ph.D. thesis by the University of Salerno, Italy.Introduces new origin-independent density functions.Covers molecular response theory using static and dynamic-induced curre |
丛书名称 | Springer Theses |
图书封面 |  |
描述 | .This book outlines past and new developments in molecular response theory in terms of static and dynamic-induced current densities and showcases an important step forward in the field of molecular density functions and their topological analysis. The book begins with a general perspective on topics such as classical Hamiltonian, quantum mechanical Hamiltonian, and topological analysis of the electron charge density, followed by an in-depth overview of time-dependent and -independent perturbations, and applications...In this book, the author presents a completely new approach that allows the interpretation of electric and magnetic properties through origin-independent density functions. Readers will also find examples of how the new origin-independent density functions are useful for rationalizing the chemical behavior of molecules interacting with impinging radiation. The concepts contained within the book are the basis for a deeper understanding of Nuclear magnetic resonance (NMR) and Electron paramagnetic resonance (EPR) spectroscopies, as well as the mechanisms that give rise to electric polarization and optical activity in chiral systems. A basic knowledge of quantum mechanic |
出版日期 | Book 2024 |
关键词 | Time-Independent Electron Current Density; Time-Dependent Electron Charge Density; Time-Dependent Elec |
版次 | 1 |
doi | https://doi.org/10.1007/978-3-031-60159-0 |
isbn_softcover | 978-3-031-60161-3 |
isbn_ebook | 978-3-031-60159-0Series ISSN 2190-5053 Series E-ISSN 2190-5061 |
issn_series | 2190-5053 |
copyright | The Editor(s) (if applicable) and The Author(s), under exclusive license to Springer Nature Switzerl |