Böcker i Progress in Theoretical Chemistry and Physics-serien

This book reviews the most significant advances in concepts, methods, and applications of quantum systems in a broad variety of problems in modern chemistry, physics, and biology. In particular, it discusses atomic, molecular, and solid structure, dynamics and spectroscopy, relativistic and correlation effects in quantum chemistry, topics of computational chemistry, physics and biology, as well as applications of theoretical chemistry and physics in advanced molecular and nano-materials and biochemical systems.The book contains peer-reviewed contributions written by leading experts in the fields and based on the presentations given at the Twenty-Fourth International Workshop on Quantum Systems in Chemistry, Physics, and Biology held in Odessa, Ukraine, in August 2019.This book is aimed at advanced graduate students, academics, and researchers, both in university and corporation laboratories, interested in state-of-the-art and novel trends in quantum chemistry, physics, biology, and their applications.

This edited, multi-author book gathers selected, peer-reviewed contributions based on papers presented at the 23rd International Workshop on Quantum Systems in Chemistry, Physics, and Biology (QSCP-XXIII), held in Mopani Camp, The Kruger National Park, South Africa, in September 2018.

This volume provides an introduction to many-body methods in electronic structure theory. It also offers an account of Brillouin-Wigner methodology as it has been developed in recent years to handle the multireference correlation problem.

This edited, multi-author book gathers selected, peer-reviewed contributions based on papers presented at the 23rd International Workshop on Quantum Systems in Chemistry, Physics, and Biology (QSCP-XXIII), held in Mopani Camp, The Kruger National Park, South Africa, in September 2018.

This unique monograph covers recent theoretical and experimental results on the complex character of f electrons in materials containing lanthanides (rare earths) or actinides, such as alpha-cerium and delta-plutonium. It answers the urgent need for a general presentation of the body of experimental and theoretical results presently available in this challenging domain. Some of the fast developing applications of lanthanide and actinide materials are mentioned.Materials containing atoms with an open f shell have electronic and crystalline properties that are controlled by the localized or delocalized character of the f electrons. This book gives a theoretical discussion of the various spectroscopic methods that shed light on the character of the f electrons and on the connection between their localization and the properties of these materials.Part 1 covers the characteristics of the f electrons in atoms and solids and includes a discussion of the properties of lanthanides and actinides in connection with the f electrons.Part 2 describes the various spectroscopic methods that are used to establish the electronic distributions and energies of the states. Examples involve the determination of f electron distributions by high energy spectroscopy methods with separate treatment of the valence and core electrons.Part 3 concentrates on the theoretical treatment of electronic transitions involving felectrons and simulations of the lanthanide spectra, including comparison with the available experimental data.Part 4 discusses the localized or delocalized character of the f electrons in actinides and their compounds, including comparison (analogies & differences) between the 4f and 5f electron materials.This monograph should be of great value for researchers, academics and engineers working in the fields of high energy spectroscopy, electronic and nuclear science and technology, as well as materials involving rare earths and radio-elements.

This volume contains a selection of papers presented at the 10th European Workshop on Quantum Systems in Chemistry and Physics, held in Tunisia, from September 1st to 7th, 2005. The volume offers unique insights into the fields of quantum chemical methods, molecular structure and spectroscopy, complexes and clusters.