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Advances in Quantum Chemistry

Sprache: Englisch.
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Advances in Quantum Chemistry presents surveys of current developments in this rapidly developing field that falls between the historically established areas of mathematics, physics, chemistry, and biology. With invited reviews written by leading int … weiterlesen
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Produktdetails

Titel: Advances in Quantum Chemistry

ISBN: 0120348497
EAN: 9780120348497
Sprache: Englisch.
Herausgegeben von John R. Sabin, Erkki J. Brandas
ACADEMIC PR INC

Dezember 2005 - gebunden - 327 Seiten

Beschreibung

Advances in Quantum Chemistry presents surveys of current developments in this rapidly developing field that falls between the historically established areas of mathematics, physics, chemistry, and biology. With invited reviews written by leading international researchers, each presenting new results, it provides a single vehicle for following progress in this interdisciplinary area.
This volume continues the tradition with high quality and thorough reviews of various aspects of quantum chemistry. It contains a variety of topics that include an extended and in depth discussion on the calculation of analytical first derivatives of the energy in a similarity transformed equation of motion couples cluster method.

Inhaltsverzeichnis

1. Analytical Energy Gradients for Excited-State Coupled-Cluster methods: Automated Algebraic Derivation of First Derivatives for Equation-of-Motion Coupled-Cluster and Similarity Transformed Equation-of-Motion Coupled-Cluster. 2. Autoionizing States of Atoms Calculated Using Generalized Sturmians. 3. Mathematical Elements of Quantum Electronic Density Functions. 4. Quantum Monte Carlo: Theory and Application to Molecular Systems. 5. From Fischer Projections to Quantum Mechanics of Tetrahedral Molecules: New Perspectives in Chirality. 6. On the canonical formulation of electrodynamics and wave mechanics. 7. Stopping Power: What's Next?

Portrait

I was born in Springfield, Mass, and Educated at Williams College (BA) and the University of New Hampshire (PhD). Following that, I was a postdoctoral at Uppsala University in Sweden, and at Northwestern University in Evanston. For the past four decades, I have worked in the Quantum Theory Project, Department of Physics, at the University of Florida. My interests have always been in the theory of molecular electronic structure. More recently, I have been working on the interaction of fast particles, mostly protons and alpha particles, with proto-biological molecules, in terms of the transfer of energy from the projectile to the molecular target, and the outcome of that energy transfer. Such energy transfer is primarily electronic, and the initial electronic excitation results in target electronic and vibrational excitation, ionization, fragmentation, charge exchange, and other processes. The study of these processes, known as stopping power, has applications in fields from microelectronics to tumor therapy. The investigations are interesting and continue.

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