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
