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Advances in Quantum Chemistry: Advances in Quantum Chemistry, cartea 49

Editat de John R. Sabin, Erkki J. Brändas
en Limba Engleză Hardback – 20 dec 2005
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.
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Specificații

ISBN-13: 9780120348497
ISBN-10: 0120348497
Pagini: 340
Dimensiuni: 165 x 240 x 20 mm
Greutate: 0.77 kg
Editura: ELSEVIER SCIENCE
Seria Advances in Quantum Chemistry


Public țintă

Quantum chemists, physical chemists, physicists

Cuprins

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?

Recenzii

"Quantum chemistry has emerged as a subject in its own right. The appearance of a review publication which surveys recent achievements in the field is therefore very appropriate and, when it has the quality of this volume, is most welcome." --PROCEEDINGS OF THE PHYSICAL SOCIETY