Recent Progress in Coupled Cluster Methods: Theory and Applications: 11 (Challenges and Advances in Computational Chemistry and Physics) - Tapa dura

Acerca del autor

P. Cársky is a Senior Scientist at the Heyrovský Institute and external professor at the Charles University

J. Paldus is a Distinguished Professor Emeritus at the University of Waterloo, Canada

J. Pittner is the Head of the Department of Theoretical Chemistry at the Heyrovský Institute

P. Cársky was a coauthor of the following books:

R. Zahradník, P. Cársky: Organic Quantum Chemistry Problems. Plenum Press, New York 1973, 222 p.

New editions:

Hirokawa Publishing Company, Tokyo, 1979 (in Japanese), SNTL, Praha 1978 (in Czech).

R. Zahradník, P. Cársky: Sbírka úloh z aplikací kvantové chemie. Statní pedagogické nakladatelství, Praha 1967, 174 p (in Czech).

P. Hobza, P. Cársky, J. Pancír, R. Zahradník: Výklad k programum pro kvantove chemické výpocty. Státní pedagogické nakladatelství, Praha 1972, 140 p (in Czech).

P. Cársky, J. Pancír, R. Zahradník: Molekulové orbitaly v chemii. Academia, Praha 1974, 140 p (in Czech).

P. Cársky, M. Urban: Ab Initio Calculations. Methods and Applications in Chemistry. Lecture Notes in Chemistry, Vol. 18. Springer-Verlag, Berlin 1980, 247 p.

Czech edition: Ab initio výpocty v chemii. SNTL, Praha 1985, 279 p. J. Paldus contributed numerous Chapters to various monographs and is currently on several Editorial Boards (in particular for a book series "Advances in Quantum Chemistry" published by Academic Press).

De la contraportada

The coupled cluster method represents one of the most successful and often used approaches to a quantum-theoretical determination of atomic, molecular, and solid state electronic structure and properties. These methods are relevant to a broad spectrum of disciplines ranging from astrophysics to pharmacology.

The knowledge of various chemical and physical properties (such as dipole or quadrupole moments, ionization potentials or electron affinities, excitation energies, polarizabilities and hyperpolarizabilities, potential energy and property surfaces, etc.) is essential for an understanding of many basic processes and, ultimately, for the development and design of practical devices and techniques based on such phenomena. The key to all such computations is the efficient and size-extensive handling of many-electron correlation effects, which represents a particularly strong aspect of coupled cluster methods.

Recent Progress in Coupled Cluster Methods provides an excellent overview of status quo and future trends in coupled cluster methodology which will enable both researchers and students to become acquainted with recent progress in this area of continuing intense activity. Each of the 22 chapters has been prepared by eminent practitioners in this field of endeavor and emphasizes the fundamental aspects as well as related methodology.

This volume provides a useful source of reference for both researchers in chemistry, molecular physics and molecular biology and practitioners working in these fields. It is also recommendable to people using related software packages.