Bücher der Reihe Progress in Theoretical Chemistry and Physics

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 edited, multi-author volume contains selected, peer-reviewed contributions based on the presentations given at the 21th International Workshop on Quantum Systems in Chemistry, Physics, and Biology (QSCP-XXI), held in Vancouver, Canada, in July 2016.

This book reviews the most significant developments in quantum methodology applied to a broad variety of problems in chemistry, physics, and biology.

This edited, multi-author volume contains selected, peer-reviewed contributions based on the presentations given at the 21th International Workshop on Quantum Systems in Chemistry, Physics, and Biology (QSCP-XXI), held in Vancouver, Canada, in July 2016.

EPR of Free Radicals in Solids: Trends in Methods and Applications, 2nd ed.

This edited, multi-author volume contains 14 selected, peer-reviewed contributions based on the presentations given at the 18th International Workshop on Quantum Systems in Chemistry, Physics, and Biology (QSCP XVIII), held at Casa da Cultura de Paraty, Rio de Janeiro, Brazil, in December 2013.

Advances in Quantum Methods and Applications in Chemistry, Physics, and Biology includes peer-reviewed contributions based on carefully selected presentations given at the 17th International Workshop on Quantum Systems in Chemistry, Physics, and Biology.

This book reviews the most significant developments in quantum methodology applied to a broad variety of problems in chemistry, physics, and biology.

This edited, multi-author volume contains 14 selected, peer-reviewed contributions based on the presentations given at the 18th International Workshop on Quantum Systems in Chemistry, Physics, and Biology (QSCP XVIII), held at Casa da Cultura de Paraty, Rio de Janeiro, Brazil, in December 2013.

In this volume we have collected some of the contributions made to the Twelfth European Workshop on Quantum Systems in Chemistry and Physics (QSCP-XII) in 2007.

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.

These two volumes collect thirty-eight selected papers from the scientific contributions presented at the Fourth European Workshop on Quantum Systems in Chemistry and Physics (QSCP-IV), held in Marly-le-Roi (France) in April 22-27, 1999.

EPR of Free Radicals in Solids I focuses on the trends in experimental and theoretical methods to extract structural and dynamical properties of radicals and spin probes in solid matrices by continuous wave (CW) and pulsed techniques.

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.

Advances in the Theory of Quantum Systems in Chemistry and Physics is a collection of 32 selected papers from the scientific contributions presented at the 15th International Workshop on Quantum Systems in Chemistry and Physics (QSCP-XV), held at Magdalene College, Cambridge, UK, from August 31st to September 5th, 2010.

This book discusses the Jahn-Teller effect and vibronic interactions, addressing such topics as complex topologies of Jahn-Teller effect and conical intersections; multi-state vibronic interactions on strongly coupled potential energy surfaces and more.

EPR of Free Radicals in Solids I focuses on the trends in experimental and theoretical methods to extract structural and dynamical properties of radicals and spin probes in solid matrices by continuous wave (CW) and pulsed techniques.

Presenting recent developments that offer fresh insights into the structure, properties, and behavior of atomic and molecular systems, this volume covers quantum dynamics and spectroscopy, complexes and clusters, and nanostructures and complex systems.

This volume presents recent theoretical and computational developments that provide new insights into the structure, properties, and behavior of a variety of atomic and molecular systems.

Advances in the Theory of Quantum Systems in Chemistry and Physics is a collection of 32 selected papers from the scientific contributions presented at the 15th International Workshop on Quantum Systems in Chemistry and Physics (QSCP-XV), held at Magdalene College, Cambridge, UK, from August 31st to September 5th, 2010.

Advances in Quantum Methods and Applications in Chemistry, Physics, and Biology includes peer-reviewed contributions based on carefully selected presentations given at the 17th International Workshop on Quantum Systems in Chemistry, Physics, and Biology.

Electron Properties in Rare-earth and Actinide Materials

This volume records the proceedings of a Forum on The Fundamentals of Electron Density, Density Matrix and Density Functional Theory in Atoms, Molecules and the Solid State held at the Coseners' House, Abingdon-on-Thames, Oxon.

Explicitly Correlated Wave Functions in Chemistry and Physics is the first book devoted entirely to explicitly correlated wave functions and their theory and applications in chemistry and molecular and atomic physics. Explicitly correlated wave functions are functions that depend explicitly on interelectronic distance.