Advances in Quantum Chemistry
Language: English
Published by Elsevier Science, 2022
- Hardcover
- New
Condition: New
£ 239.92
Quantity: Over 20 available
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Provides the authority and expertise of leading contributors from an international board of authors Presents the latest release in Advances in Quantum Chemistry serials Updated release includes the latest information on thi.
Seller Inventory # 612000700
- Title
- Advances in Quantum Chemistry
- Publisher
- Elsevier Science
- Publication year
- 2022
- Condition
- New
- Binding
- Hardcover
- Language
- English
- ISBN 10
- 0443186650
- ISBN 13
- 9780443186653
Advances in Quantum Chemistry, Volume 86 highlights new advances in the field, with this new volume presenting topics covering Can orbital basis sets compete with explicitly correlated ones for few-electron systems?, Converging high-level equation-of-motion coupled-cluster energetics with the help of Monte Carlo and selected configuration interaction, Coupled cluster downfolding techniques: a review of existing applications in classical and quantum computing for chemical systems, Multi-reference methods for the description of dynamic and nondynamic electron correlation effects in atoms and molecules, Exploring the attosecond laser-driven electron dynamics in the hydrogen molecule with different TD-CI approaches, and much more.
Additional sections cover Molecular systems in spatial confinement: variation of linear and nonlinear electrical response of molecules in the bond dissociation processes, Relativistic Infinite-order two-component methods for heavy elements, Second quantized approach to exchange energy revised – beyond the S^2 approximation, Calculating atomic states without the Born-Oppenheimer approximation, Convergence of the Correlated Optimized Effective Potential Method, and more.
- Provides the authority and expertise of leading contributors from an international board of authors
- Presents the latest release in Advances in Quantum Chemistry serials
- Updated release includes the latest information on this timely topic
"Synopsis" may belong to another edition of this title.
About the Author
Rod Bartlett pioneered the development of coupled-cluster (CC) theory in quantum chemistry to offer highly accurate solutions of the Schroedinger equation for molecular structure and spectra, presenting the CCSD, CCSD[T], CCSDT, CCSDT[Qf], and CCSDTQ methods among many others. He extended the CC theory to excited, ionized, and electron attached states with his equation-of-motion EOM-CC methods. His group formulated analytical gradient theory for CC theory, making it possible to readily search potential energy surfaces and to provide vibrational spectra. His group introduced the STEOM-CC extensions for excited states.
His group is also responsible for the widely used ACES II and massively parallel ACES III program system. He is the author of more than 500 journal articles and book chapters. He is the co-author with Isaiah Shavitt of the definitive book on coupled-cluster theory, “Many-Body Methods in Chemistry and Physics: MBPT and Coupled-Cluster theory, Cambridge Press, 2009.
"About the title" may belong to another edition of this title.
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