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Advances in Quantum Chemistry
 
 

Advances in Quantum Chemistry, 1st Edition

 
Advances in Quantum Chemistry, 1st Edition,John Sabin,Erkki Brandas,ISBN9780120348497
 
 
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Advances in Quantum Chemistry

Sabin   &   Brandas   

Academic Press

9780120348497

9780080458212

340

240 X 165

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Description

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.

Readership

Quantum chemists, physical chemists, physicists

John Sabin

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.

Affiliations and Expertise

Quantum Theory Project, University of Florida, Gainesville, FL, USA

View additional works by John R. Sabin

Erkki Brandas

Affiliations and Expertise

Uppsala University, Sweden

View additional works by Erkki J. Brandas

Advances in Quantum Chemistry, 1st Edition

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 Theories (M. Wladyslawski, M. Nooijen).


2. Autoionizing States of Atoms Calculated Using Generalized Sturmians (J. Avery, J. Avery).


3. Mathematical Elements of Quantum Electronic Density Functions (R. Carbรณ-Dorca).


4. Quantum Monte Carlo: Theory and Application to Molecular Systems (A. Aspuru-Guzik, W.A. Lester, Jr.).


5. From Fischer Projections to Quantum Mechanics of Tetrahedral Molecules: New Perspectives in Chirality(S. Capozziello, A. Lattanzi).


6. On the Canonical Formulation of Electrodynamics and Wave Mechanics (D. Masiello et al).


7. Stopping Power: What's Next? (J.R. Sabin, J. Oddershede).
 
 
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