Higher Excited States of Polyatomic Molecules, Volume III focuses on higher electronic excitations in polyatomic molecules, with emphasis on excitations beyond 50,000 cm-1. This book explores the various transitions on the basis of their orbital characteristics. Organized into 22 chapters, this volume begins with an overview of the relationships between spectra of different molecules and between the results of various types of spectroscopy. This book then discusses the higher excited states involving Rydberg excitation. Other chapters explore the higher excited states in all classes of biological, organic, and inorganic molecules. This text further discusses the progress in the area of higher excitations in polyatomic atoms and the technique of multiphoton ionization (MPI) spectroscopy that yields a remarkable amount of spectroscopic information applicable to the vacuum-ultraviolet region. The final chapter deals with the vacuum-ultraviolet spectroscopy of biological materials. Analytical chemists, photochemists, molecular spectroscopists, and researchers will find this book extremely useful.

Higher Excited States of Polyatomic Molecules, Volume I focuses on the spectra in the vacuum-ultraviolet region between 50,000 and 100,000 cm-1. This book explores the higher excitations in molecules beyond 50,000 cm-1. Organized into three chapters, this volume starts with an overview of the excited-state properties of a molecule and the excited-state ionization potential. This book then proceeds with a discussion of the original classification of the properties as well as the types of excitations observed in the vacuum-ultraviolet. Other chapters discuss photoelectron spectroscopy, which is an independent, self-sustaining branch of molecular spectroscopy. This text examines as well the distinction between valence shell and Rydberg excitations. The final chapter deals with several topics, including the saturated molecules that are classified as having all valence electrons, the alkene absorption spectra, and the spectroscopic data on boron compounds. Analytical chemists, photochemists, molecular spectroscopists, and researchers will find this book extremely useful.

Higher Excited States of Polyatomic Molecules, Volume II focuses on a higher level of activity in vacuum ultraviolet spectroscopy. This book explores the Rydberg states in atoms and molecules. Comprised of five chapters, this volume starts with an overview of the two-center unsaturated molecules that usually display sharp Rydberg transitions originating with the pi electrons. This book then discusses the unsaturated double bond that adds another dimension to the spectrum. Other chapters explore the optical spectrum of the amide group, which is the basic chromophoric unit in polypeptides. This text further discusses the all-electron calculations of the electronic structure of the amide group that is performed in Gaussian orbital basis sets. This book considers as well the prominent characteristic of Rydberg excitations in benzene. The final chapter deals with the biological molecules that are polyfunctional in general. Analytical chemists, photochemists, molecular spectroscopists, and researchers will find this book extremely useful.

Higher Excited States of Polyatomic Molecules, Volume I focuses on the spectra in the vacuum-ultraviolet region between 50,000 and 100,000 cm-1. This book explores the higher excitations in molecules beyond 50,000 cm-1. Organized into three chapters, this volume starts with an overview of the excited-state properties of a molecule and the excited-state ionization potential. This book then proceeds with a discussion of the original classification of the properties as well as the types of excitations observed in the vacuum-ultraviolet. Other chapters discuss photoelectron spectroscopy, which is an independent, self-sustaining branch of molecular spectroscopy. This text examines as well the distinction between valence shell and Rydberg excitations. The final chapter deals with several topics, including the saturated molecules that are classified as having all valence electrons, the alkene absorption spectra, and the spectroscopic data on boron compounds. Analytical chemists, photochemists, molecular spectroscopists, and researchers will find this book extremely useful.

The second edition of this best-selling handbook is bigger, more comprehensive, and now completely current. In addition to thorough updates to the discussions featured in the first edition, this edition includes 66 new chapters that reflect recent developments, new applications, and emerging areas of interest. Within the handbook's 145 critically r

The state-of-the-art in contemporary theoretical chemistry is presented in this 4-volume set with numerous contributions from the most highly regarded experts in their field. It provides a concise introduction and critical evaluation of theoretical approaches in relation to experimental evidence.

It is undoubtedly true that much of the progress in the quant~m theory of matter is due to the remarkable success of the independent particle model (IPM)--especially in describing ground states. However, the accurate experimental results of the last 10 years or so, on a variety of spectroscopic phenomena and chemical processes which involve the Excited State, and the related failure of the IPM to reproduce accurately--in many cases, even qualitatively--the observed data, have sent to theorists a clear message: There is need to create and/or apply general and useful approaches to the many-electron problem of the excited state which go beyond the IPM, treat electron correlation and relativity and explain or predict all relevant physical or chemical information with consistent accuracy. This book contains articles devoted mainly to some of the most important new developments in Quantum Chemistry concerning the theoretical foundations and the computational implementation of many-body approaches to the quantitative and detailed under standing of the electronic excited states of atoms, molecules and solids. Furthermore, it contains experimental and pheno menological articles on Photoelectron and Auger spectroscopy, Lifetime measurements and Organic Photochemistry. In combination or individually, these articles constitute a good description of some current theoretical and experimental work on the electronic structure and spectroscopy of atoms, molecules, polymers, surfaces, metal oxides and amorphous solids.