This work offers a formulation for the prediction of the energy levels of many-electron atomic systems within the framework of a configuration interaction treatment, with consideration of the most important relativistic corrections as well as the interaction with magnetic fields.
This work offers a formulation for the prediction of the energy levels of many-electron atomic systems within the framework of a configuration interac...
This monograph presents the definitions, concepts, notions and methodologies of both spatial and temporal fractals. Simple examples and illustrations are used to illustrate the text, and all concepts are applied to various scientific and engineering problems.
This monograph presents the definitions, concepts, notions and methodologies of both spatial and temporal fractals. Simple examples and illustrations ...
The present volume contains the text of the invited lectures presented at the Symposium on Many- Body Methods in Quantum Chemistry, held on the campus of Tel Aviv University in August 1988. The Symposium was a satellite meeting of the Sixth International Congress on Quantum Chemistry held in Jerusalem. The development and application of many-body methods in Quantum chemistry have been on the rise for a number of years. This is therefore a good time for an interim report on the state of the field. It is hoped that such a report is hereby provided, though it may not be complete. The Symposium...
The present volume contains the text of the invited lectures presented at the Symposium on Many- Body Methods in Quantum Chemistry, held on the campus...
Provides a general approach to aspects of perturbation theory, covering all topics from the construction, analysis and summation of perturbation series to applications. Special emphasis is placed on simple methods, as well as ideas stemming from the physics of systems of interest.
Provides a general approach to aspects of perturbation theory, covering all topics from the construction, analysis and summation of perturbation serie...
The mathematical treatment of coronoid hydrocarbons is a continuation of the authors' previous book "Kekule Structures" "in Benzenoid Hydrocarbons" (Lecture Notes in Chemistry, Vol. 46). The book addresses theoretical and mathematical chemists and graduate students. The treatment includes topological properties of coronoid systems, their enumeration and classification, the number of Kekule structures and of aromatic sextets.
The mathematical treatment of coronoid hydrocarbons is a continuation of the authors' previous book "Kekule Structures" "in Benzenoid Hydrocarbons" (L...
A charge transfer across the interface between two immiscible liquid media has an important role both in nature and in man-designed applications. Ion transfer across the biological membranes, behavior of ion-selective electrodes with liquid membranes and similar sensors, extraction processes, phase transfer catalysis and applications in electroanalytical chemistry can serve as examples. Present interest in the interface between two immiscible electrolytes (liquid liquid or L/L interface) was originated by Koryta's idea (Koryta, Vanysek and Brezina 1976) that the interface between immiscible...
A charge transfer across the interface between two immiscible liquid media has an important role both in nature and in man-designed applications. Ion ...
A reference work which lists calculations related to the relativistic effects of the properties of the heavier atoms and molecules. The material is organized by subject into tables, each containing concise characterizations.
A reference work which lists calculations related to the relativistic effects of the properties of the heavier atoms and molecules. The material is or...
During the last thirty years, with the development of high speed electronic computers, methods have evolved, which permit an accurate and quantitative, ab initio determina- tion of the electronic wavefunctions of atoms and molecules. Thus a detailed elucida- tion of the electronic energy and structure of molecules has become possible using quantum mechanics directly. Ho ever, it is necessary, if such calculations are to yield accurate and reliable results, to include electron correlation explicitely, which requires in general . configuration mixing procedures with an extremely large 5 number...
During the last thirty years, with the development of high speed electronic computers, methods have evolved, which permit an accurate and quantitative...
This book presents a computational scheme for calculating the electronic properties of crystalline systems at an ab-ini tio Hartree-Fock level of approximation. The first chapter is devoted to discussing in general terms the limits and capabilities of this approximation in solid state studies, and to examining the various options that are open for its implementation. The second chapter illustrates in detail the algorithms adopted in one specific computer program, CRYSTAL, to be submitted to QCPE. Special care is given to illustrating the role and in: fluence of computational parameters,...
This book presents a computational scheme for calculating the electronic properties of crystalline systems at an ab-ini tio Hartree-Fock level of appr...
In this book a presentation of a phenomenological theory of elec- trochemistry is given. More precisely, it should be stated that only one part of the whole field of electrochemistry is developed. It is the purpose of this treatment to describe the interconnection between the electric current in a composite thermodynamic system and the rate of production of a certain substance on the one side, the rate of deple- tion of another substance on the other side, and the work per unit time which has to be delivered to or is supplied by the system. The last part of this programme leads to the...
In this book a presentation of a phenomenological theory of elec- trochemistry is given. More precisely, it should be stated that only one part of the...