Relativistic Quantum Theory of Atoms and Molecules

Theory and Computation
 Previously published in hardcover
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Relativity in atomic and molecular physics.- Relativistic wave equations for free particles.- The Dirac Equation.- Quantum electrodynamics.- Approximation of Dirac wavefunctions.- Complex atoms.- Computation of atomic structures.- Computation of atomic properties.- Continuum processes in many-electron atoms.- Molecular structure methods.- Relativistic calculation of molecular properties.- References.- Index.
This book is intended for physicists and chemists who need to understand the theory of atomic and molecular structure and processes, and who wish to apply the theory to practical problems. As far as practicable, the book provides a self-contained account of the theory of relativistic atomic and molecular structure, based on the accepted formalism of bound-state Quantum Electrodynamics. The author was elected a Fellow of the Royal Society of London in 1992.
Autor: Ian P Grant
Professor Grant first became aware of the need to develop a relativistic theory of atomic and molecular structure some 50 years ago in connection with X-ray absorption by heavy metals. In a 1961 paper, he showed that the Dirac-Hartree-Fock equations for atoms could be written in a simple form which has been used in all subsequent atomic calculations. This early work was generalized to permit more accurate multi-configurational calculations in the next two decades, implemented in the widely used GRASP code for relativistic modeling of electronic wavefunctions, energy levels and radiative transition probabilities of spectral lines. The DARC code, an extension of GRASP which is designed to calculate cross sections for atom/ion collisions with low-energy electrons or photons, was developed mainly in the 1980s and is now becoming more relevant for applications involving target atoms of higher atomic number. The BERTHA code is the first relativistic molecular structure code designed to take advantage of the internal structure of Dirac four-component spinors; its speed and accuracy are now beginning to be appreciated and utilized effectively by quantum chemists. The book is designed for all those who would like to know more about the mathematics and physics of relativistic atomic and molecular theory and who wish to use the computational machinery now available to solve problems in atomic and molecular physics and their applications.
Professor Grant was elected a Fellow of the Royal Society of London in 1992.

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Autor: Ian P Grant
ISBN-13 :: 9781441922403
ISBN: 1441922407
Erscheinungsjahr: 23.11.2010
Verlag: Springer New York
Gewicht: 1221g
Seiten: 824
Sprache: Englisch
Auflage Softcover reprint of hardcover 1st ed. 2007
Sonstiges: Taschenbuch, 235x155x43 mm
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