Diatomic Molecules
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| Author | : Helene Lefebvre-Brion |
| Publisher | : Elsevier |
| Total Pages | : 797 |
| Release | : 2004-04-28 |
| Genre | : Science |
| ISBN | : 0080517501 |
This book is written for graduate students just beginning research, for theorists curious about what experimentalists actually can and do measure, and for experimentalists bewildered by theory. It is a guide for potential users of spectroscopic data, and uses language and concepts that bridge the frequency-and time-domain spectroscopic communities. Key topics, concepts, and techniques include: the assignment of simple spectra, basic experimental techniques, definition of Born-Oppenheimer and angular momentum basis sets and the associated spectroscopic energy level patterns (Hund's cases), construction of effective Hamiltonian matrices to represent both spectra and dynamics, terms neglected in the Born-Oppenheimer approximation (situations intermediate between Hund's cases, spectroscopic perturbations), nonlinear least squares fitting, calculation and interpretation of coupling terms, semi-classical (WKB) approximation, transition intensities and interference effects, direct photofragmentation (dissociation and ionization) and indirect photofragmentation (predissociation and autoionization) processes, visualization of intramolecular dynamics, quantum beats and wavepackets, treatment of decaying quasi-eigenstates using a complex Heff model, and concluding with some examples of polyatomic molecule dynamics. Students will discover that there is a fascinating world of cause-and-effect localized dynamics concealed beyond the reduction of spectra to archival molecular constants and the exact ab initio computation of molecular properties. Professional spectroscopists, kinetics, ab initio theorists will appreciate the practical, simplified-model, and rigorous theoretical approaches discussed in this book. - A fundamental reference for all spectra of small, gas-phase molecules - It is the most up-to-date and comprehensive book on the electronic spectroscopy and dynamics of diatomic molecules - The authors pioneered the development of many of the experimental methods, concepts, models, and computational schemes described in this book
| Author | : John M. Brown |
| Publisher | : Cambridge University Press |
| Total Pages | : 1074 |
| Release | : 2003-04-10 |
| Genre | : Science |
| ISBN | : 9780521530781 |
The definitive text on the rotational spectroscopy of diatomic molecules.
| Author | : Robert Mulliken |
| Publisher | : Elsevier |
| Total Pages | : 214 |
| Release | : 2012-12-02 |
| Genre | : Science |
| ISBN | : 0323160077 |
Diatomic Molecules: Results of Ab Initio Calculations provides the results obtained from quantum-mechanical calculations on the electronic structure of diatomic molecules. This six-chapter text also discusses the related concepts of ab initio calculation methods. This book considers first the primary methods used in the computation of molecular wave functions and of related properties. This topic is followed by discussions on the linear combination of atomic orbital and linear combination of mixed atomic orbital approximations and basis sets; electronic population analysis; spectroscopic transition probabilities; and the nature of chemical bonding. The remaining chapters examine the features of various theories that become prominent when two or more electrons are present, or are important in hydrides or homopolar and heteropolar molecules. This text will be of great value to organic and inorganic chemists and physicists.
| Author | : John Olmsted |
| Publisher | : Jones & Bartlett Learning |
| Total Pages | : 1232 |
| Release | : 1997 |
| Genre | : Medical |
| ISBN | : 9780815184508 |
Textbook outling concepts of molecular science.
| Author | : Helene Lefebvre-Brion |
| Publisher | : Elsevier |
| Total Pages | : 429 |
| Release | : 2012-12-02 |
| Genre | : Science |
| ISBN | : 0323150764 |
Perturbations in the Spectra of Diatomic Molecules examines in sufficient detail the spectrum of every diatomic molecule. This book is divided into seven chapters. Chapter 1 describes the perturbations and simple procedures for evaluating matrix elements of angular momentum. The terms in the molecular Hamiltonian that are responsible for perturbations are elaborated in Chapter 2, while the process of reducing spectra to molecular constants and the difficulty of relating empirical parameters to terms in the exact molecular Hamiltonian are described in Chapter 3. Chapter 4 discusses the magnitudes and physical interpretations of matrix elements. The transition intensities, especially quantum mechanical interference effects, are reviewed in Chapter 5. The last two chapters are devoted to the two forms of perturbation—predissociation and autoionization. This publication is a good source for graduate students, theorists, experimentalists, and potential users of spectroscopic data.
| Author | : Sergey Lukashov |
| Publisher | : Springer |
| Total Pages | : 209 |
| Release | : 2018-01-02 |
| Genre | : Science |
| ISBN | : 3319700723 |
This book presents experimental and theoretical spectroscopic studies performed over the last 25 years on the iodine molecule’s excited states and their perturbations. It is going to be of interest to researchers who study intra- and intermolecular perturbations in diatomic molecules and more complex systems. The book offers a detailed treatment of the nonadiabatic perturbations of valence, ion-pair and Rydberg states induced by intramolecular as well as intermolecular interactions in collisions or in weakly-bound complexes. It also provides an overview of current instrumentation and techniques as well as theoretical approaches describing intra- and intermolecular perturbations. The authors are experts in the use of spectroscopy for the study of intrinsic and collision-induced perturbations in diatomic iodine. They introduced a new method of three-step optical population of the iodine ion-pair states. The iodine molecule has 23 valence states correlating with three dissociation limits, 20 so-called ion-pair states, nestled in four tiers and a multitude of Rydberg states. All the states have different angular momenta, parities and very dense rovibronic levels. Moreover, perturbations caused by atomic or molecular partners lead to effective nonadiabatic transitions. For these reasons the authors propose this molecule as a model system for spectroscopic studies of intra- and intermolecular perturbations in other diatomic molecules.
| Author | : Brain Judd |
| Publisher | : Elsevier |
| Total Pages | : 251 |
| Release | : 2012-12-02 |
| Genre | : Science |
| ISBN | : 0323159052 |
Angular Momentum Theory for Diatomic Molecules focuses on the application of angular momentum theory in describing the complex dynamical processes in molecules. The manuscript first offers information on tensor algebra and rotation group. Discussions focus on commutation relations, spherical and double tensors, rotations, coupling, reduced matrix elements, quaternions, combination theorem for Gegenbauer polynomials, and combination theorems for spherical harmonics. The book then takes a look at R(4) in physical systems and hydrogen molecular ion, including rigid rotator, reversed angular momentum, reduced matrix elements, spheroidal coordinates, and hydrogen atom in spheroidal coordinates. The publication examines expansions and free diatomic molecules. Topics include angular momentum, molecular frame, primitive energy spectrum, rotating oscillator and hydrogen atom, expressions for electric potentials, delta functions, and Neumann expansion. The manuscript also considers external fields and perturbations. The text is a dependable reference for readers interested in the application of angular momentum theory in identifying the dynamical processes going on in molecules.
| Author | : Gerhard Herzberg |
| Publisher | : |
| Total Pages | : 660 |
| Release | : 1939 |
| Genre | : Molecular spectra |
| ISBN | : |
| Author | : Robert Mulliken |
| Publisher | : Academic Press |
| Total Pages | : 232 |
| Release | : 1975-01-28 |
| Genre | : Science |
| ISBN | : |
Diatomic Molecules: Results of Ab Initio Calculations provides the results obtained from quantum-mechanical calculations on the electronic structure of diatomic molecules. This six-chapter text also discusses the related concepts of ab initio calculation methods. This book considers first the primary methods used in the computation of molecular wave functions and of related properties. This topic is followed by discussions on the linear combination of atomic orbital and linear combination of mixed atomic orbital approximations and basis sets; electronic population analysis; spectroscopic transition probabilities; and the nature of chemical bonding. The remaining chapters examine the features of various theories that become prominent when two or more electrons are present, or are important in hydrides or homopolar and heteropolar molecules. This text will be of great value to organic and inorganic chemists and physicists.
| Author | : Jin-Tae Kim |
| Publisher | : Morgan & Claypool Publishers |
| Total Pages | : 66 |
| Release | : 2014-12-01 |
| Genre | : Science |
| ISBN | : 1627056785 |
Soon after she became involved in the didactics of physics, the author of this book realized that the transfer of new discoveries in physics into schools and to undergraduate programs is almost non-existent. Such an introduction is difficult as students' k
