Advances in quantum chemistry. Volume 86 /

Detalles Bibliográficos
Clasificación:Libro Electrónico
Otros Autores: Br�andas, Erkki (Editor ), Bartlett, Rodney J. (Editor )
Formato: Electrónico eBook
Idioma:Inglés
Publicado: Amsterdam : Academic Press, 2022.
Colección:ISSN
Temas:
Quantum chemistry.
Chimie quantique.
Quantum chemistry
Acceso en línea:Texto completo
Tabla de Contenidos:
  • <P>1. Can orbital basis sets compete with explicitly correlated ones for few-electron systems? <i>Krzysztof Szalewicz </i>2. Converging high-level equation-of-motion coupled-cluster energetics with the help of Monte Carlo and selected configuration interaction <i>Piotr Piecuch </i>3. Coupled cluster downfolding techniques: a review of existing applications in classical and quantum computing for chemical systems <i>Karol Kowalski </i>4. Multi-reference methods for the description of dynamic and nondynamic electron correlation effects in atoms and molecules <i>Leszek Meissner </i>5. Exploring the attosecond laser-driven electron dynamics in the hydrogen molecule with different TD-CI approaches <i>Aleksander Wozniak </i>6. Molecular systems in spatial confinement: variation of linear and nonlinear electrical response of molecules in the bond dissociation processes <i>Wojciech Bartkowiak </i>7. Relativistic Infinite-order two-component methods for heavy elements <i>Maria Barysz </i>8. Second quantized approach to exchange energy revised
  • beyond the S 2 approximation <i>Piotr Zuchowski </i>9. Calculating atomic states without the Born-Oppenheimer approximation <i>Monika Stanke </i>10. Convergence of the Correlated Optimized Effective Potential Method <i>Szymon Filip Smiga </i>11. Generalized Relaxed Excitation with a Non-integer Particle and Hole Charge as an Excitation Order <i>Katarzyna Pernal </i>12. Vanadium
  • based Materials for Catalytic Applications: Insight from Density Functional Theory <i>Malgorzta Witko </i>13. Electronic convection in coherent information-theoretic description of molecular states <i>Roman F. Nalewajski </i>14. Interparticle correlations and chemical bonding from physical side: Exact diagonalization combined with ab initio wave function adjustment <i>Jozef Spalek and Ewa Broclawik </i>15. ETS-NOCV and Molecular Electrostatic Potential-based Picture of Chemical Bonding <i>Artur Michalak </i>16. Electrostatic Embedding for Elongation Cutoff Technique
  • Method Accuracy <i>Jacek Korchowiec </i>17. From the Kolos-Wolniewicz calculations to the quantum-electrodynamic treatment of the hydrogen molecule: competition between theory and experiment <i>Jacek Komasa </i>18. Making symmetry-adapted perturbation theory more accurate <i>Konrad Patkowski and Tatiana Korona </i>19. Advanced models of coupled cluster theory for the ground, excited and ionized states <i>Monika Musial and Stanislaw Kucharski</p></i>

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