Polish Quantum Chemistry from Ko?os to Now
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ISBN/EAN:
9780443185953
Polish Quantum Chemistry from Kolos to Now, Volume 87 provides a survey of contributions coauthored by Polish scientists working in Poland, and in European and American Universities. Sections in this release include Review: From the Kolos-Wolniewicz calculations to the quantum-electrodynamic treatment of the hydrogen molecule: competition between theory and experiment, Review: How to make symmetry-adapted perturbation theory more accurate, Review: Advanced models of coupled cluster theory for the ground, excited and ionized states, 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, and more. Additional chapters cover Coupled cluster downfolding techniques: a review of existing applications in classical and quantum computing for chemical systems, Exploring the attosecond laser-driven electron dynamics in the hydrogen molecule with different real-time time-dependent configuration interaction approaches, Molecular systems in spatial confinement: variation of linear and nonlinear electrical response of molecules in the bond dissociation processes, and much more. - Updates on the latest developments and performance of SAPT - Presents key theory and applications of high precision calculations for few electron systems - Includes discussions on the development and applications of the DFT approach
Autor: | Monika Musial, Ireneusz Grabowski |
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EAN: | 9780443185953 |
eBook Format: | ePUB/PDF |
Sprache: | Englisch |
Produktart: | eBook |
Veröffentlichungsdatum: | 05.06.2023 |
Kategorie: | |
Schlagworte: | Aromatization of methane Atomic Rydberg states Atomicity in molecular states Charge distributions Charge transfer Chemical bonding Cold molecules Continuity relations Coupled cluster Coupled cluster method Coupled clusters Deformation dens |
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