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|a QD462
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|a 541.28
|2 23
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|a Advances in quantum chemistry.
|n Volume 86 /
|c editors, Erkki J. Brandas, Rodney Bartlett.
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| 264 |
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|a Amsterdam :
|b Academic Press,
|c 2022.
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| 300 |
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|a 1 online resource
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|a text
|b txt
|2 rdacontent
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|a computer
|b c
|2 rdamedia
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|a online resource
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|a ISSN
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|a Print version record.
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|a <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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| 650 |
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|a Quantum chemistry.
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| 650 |
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|a Chimie quantique.
|0 (CaQQLa)201-0045730
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| 650 |
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|a Quantum chemistry
|2 fast
|0 (OCoLC)fst01085086
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| 700 |
1 |
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|a Br�andas, Erkki,
|e editor.
|1 https://isni.org/isni/0000000110415814
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| 700 |
1 |
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|a Bartlett, Rodney J.,
|e editor.
|1 https://isni.org/isni/0000000116464422
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| 776 |
0 |
8 |
|i Print version:
|t Advances in quantum chemistry. Volume 86.
|d Amsterdam : Academic Press, 2022
|z 9780443186653
|w (OCoLC)1346306263
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| 856 |
4 |
0 |
|u https://sciencedirect.uam.elogim.com/science/bookseries/00653276/86
|z Texto completo
|
