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| 1. | A coupled cluster treatment of intramonomer electron correlation within symmetry-adapted perturbation theory - benchmark calculations and a comparison with a density-functional theory description
[ LINK ]
MOLECULAR PHYSICS Tom 111 Nr 24 r. 2013, str. 3705-3715 (Artykuł)
Tatiana Korona |
| 2. | Theoretical Studies of Potential Energy Surface and Bound States of the Strongly Bound He-BeO Complex
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JOURNAL OF PHYSICAL CHEMISTRY A Tom 117 Nr 30 r. 2013, str. 6657-6663 (Artykuł)
Michał Hapka, Jacek Klos, Tatiana Korona, Grzegorz Chałasiński |
| 3. | Interaction between LiH molecule and Li atom from state-of-the-art electronic structure calculations
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JOURNAL OF CHEMICAL PHYSICS Tom 134 Nr 11 r. 2011, str. 1-16 (Artykuł)
Wojciech Skomorowski, Filip Pawłowski, Tatiana Korona, Robert Moszyński, Piotr Żuchowski, Jeremy Hutson |
| 4. | On the accuracy of DFT-SAPT, MP2, SCS-MP2, MP2C, and DFT+Disp methods for the interaction energies of endohedral complexes of the C60 fullerene with a rare gas atom
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PHYSICAL CHEMISTRY CHEMICAL PHYSICS Tom 13 r. 2011, str. 732-743 (Artykuł)
Andreas Hesselmann, Tatiana Korona |
| 5. | Small molecules in C60 and C70: which complexes could be stabilized?
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JOURNAL OF CHEMICAL THEORY AND COMPUTATION Tom 7 r. 2011, str. 1476-1483 (Artykuł)
Tatiana Korona, Helena Dodziuk |
| 6. | The effect of local approximations on first-order properties from expectation-value coupled cluster theory
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THEORETICAL CHEMISTRY ACCOUNTS Tom 129 r. 2011, str. 15-30 (Artykuł)
Tatiana Korona |
| 7. | Coupled cluster singles and doubles polarisation propagator accurate through the third order of Møller-Plesset theory.
[ LINK ]
MOLECULAR PHYSICS Tom 108 r. 2010, str. 343-357 (Artykuł)
Tatiana Korona (Autor oryginału) |
| 8. | Local CC2 response method for triplet states based on Laplace transform: Excitation energies and first-order properties.
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JOURNAL OF CHEMICAL PHYSICS Tom 113 r. 2010, str. 244110-244125 (Artykuł)
Tatiana Korona, K. Freundorfer, D. Kats, M. Schütz |
| 9. | XCC2 - a new coupled cluster model for the second-order polarization propagator.
[ LINK ]
PHYSICAL CHEMISTRY CHEMICAL PHYSICS Tom 12 r. 2010, str. 14977-14984 (Artykuł)
Tatiana Korona (Autor oryginału) |
| 10. | Exchange-Dispersion Energy: A Formulation in Terms of Monomer Properties and Coupled Cluster Treatment of Intramonomer Correlation.
JOURNAL OF CHEMICAL THEORY AND COMPUTATION Tom 5 r. 2009, str. 2663-2678 (Artykuł)
Tatiana Korona (Autor oryginału) |
| 11. | Symmetry-Adapted Perturbation Theory Applied to Endohedral Fullerene Complexes: A Stability Study of 2@c_{60} AND 2h_2@C_{60},
JOURNAL OF CHEMICAL THEORY AND COMPUTATION Tom 5 r. 2009, str. 1585-1596 (Artykuł)
Tatiana Korona, A. Hessellman, H. Dodziuk |
| 12. | Dispersion energy from density-fitted density susceptibilities of singles and doubles coupled cluster theory
JOURNAL OF CHEMICAL PHYSICS Tom 128 r. 2008, str. 144107-144110 (Artykuł)
Bogumił Jeziorski, Tatiana Korona |
| 13. | First-order exchange energy of intermolecular interactions from coupled cluster density matrices and their cumulants.
JOURNAL OF CHEMICAL PHYSICS Tom 128 r. 2008, str. 22104-22118 (Artykuł)
Tatiana Korona (Autor oryginału) |
| 14. | Second-order exchange-induction energy of intermolecular interactions from coupled cluster density matrices and their cumulants.
PHYSICAL CHEMISTRY CHEMICAL PHYSICS Tom 10 r. 2008, str. 6509-6519 (Artykuł)
Tatiana Korona, Tatiana Korona (Autor oryginału) |
| 15. | Two-particle density matrix cumulant of coupled cluster theory.
PHYSICAL CHEMISTRY CHEMICAL PHYSICS Tom 10 r. 2008, str. 5698-5705 (Artykuł)
Tatiana Korona (Autor oryginału) |
| 16. | On the role of higer-order correlation effects on the induction interactions between closed-shell molecules
PHYSICAL CHEMISTRY CHEMICAL PHYSICS Tom 9 r. 2007, str. 6004-6011 (Artykuł)
Tatiana Korona (Autor oryginału) |
| 17. | Transition strengths and first-order properties of excited states from local coupled cluster CC2 response theory with density fitting
JOURNAL OF CHEMICAL PHYSICS Tom 127 r. 2007, str. 64107-64112 (Artykuł)
D Kats, Tatiana Korona, M Schutz |
| 18. | Time-independent coupled cluster theory of the polarization propagator. Implementation and application of the singles and doubles model to dynamic polarizabilities and van der Waals constants
MOLECULAR PHYSICS Tom 104 r. 2006, str. 2303-2316 (Artykuł)
Tatiana Korona, Michał Przybytek, Bogumił Jeziorski |
| 19. | Local CC2 electronic excitation energies for large molecules with density fitting
JOURNAL OF CHEMICAL PHYSICS Tom 125 r. 2006, str. 104106-104115 (Artykuł)
D Kats, Tatiana Korona, M Schutz |
| 20. | One-electron properties and electrostatic interaction energies from the expectation value expression and wave function of single and doubles coupled cluster theory
JOURNAL OF CHEMICAL PHYSICS Tom 125 r. 2006, str. 184109-184113 (Artykuł)
Tatiana Korona, Bogumił Jeziorski |
| 21. | Theoretical spectroscopy of the calcium dimer in the A Sum_u+, c Pi u, and 3 Sum u + manifolds: An ab initio nonadiabatic treatment
JOURNAL OF CHEMICAL PHYSICS Tom 125 r. 2006, str. 114315-114330 (Artykuł)
B Bussery-Honvault, J Launay, Tatiana Korona, Robert Moszyński |
| 22. | Third-order interaction in symmetry-adapted perturbation theory
JOURNAL OF CHEMICAL PHYSICS Tom 125 r. 2006, str. 154107-154120 (Artykuł)
D Kats, Tatiana Korona, M Schutz |
| 23. | Time-independent coupled cluster theory of the polarization propagator. Implementation and application of the singles and soubles model to dynamic polarizabilities and van der Waals constants
MOLECULAR PHYSICS Tom 104 r. 2006, str. 2303-2316 (Artykuł)
Tatiana Korona, Michał Przybytek, Bogumił Jeziorski |
| 24. | The effect of local approximations in coupled-claster wave functions on dipole moments and static dipole polarisabilities
PHYSICAL CHEMISTRY CHEMICAL PHYSICS Tom 6 r. 2004, str. 2059-2065 (Artykuł)
Tatiana Korona, K Pfluger, H Werner |
| 25. | Ab initio potential energy surface and second virial coefficient for He-H2O complex
JOURNAL OF MOLECULAR STRUCTURE-THEOCHEM Tom 591 r. 2002, str. 231-243 (Artykuł)
K Patkowski, Tatiana Korona, Robert Moszyński, Bogumił Jeziorski, Krzysztof Szalewicz |