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Advances in Quantum Chemistry

  • 1st Edition, Volume 86 - October 21, 2022
  • Editors: Erkki J. Brändas, Rodney J. Bartlett
  • Language: English
  • Hardback ISBN:
    9 7 8 - 0 - 4 4 3 - 1 8 6 6 5 - 3
  • eBook ISBN:
    9 7 8 - 0 - 4 4 3 - 1 8 6 6 6 - 0

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 explicitl… Read more

Advances in Quantum Chemistry

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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.