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