DOI: 10.1021/ct200005p. Extrapolation and Scaling of the DFT-SAPT Interaction Energies toward the Basis Set Limit

Extrapolation and Scaling of the DFT-SAPT Interaction Energies toward the Basis Set Limit

10.1021/ct200005p

Crossref journal-article

American Chemical Society (ACS)

Journal of Chemical Theory and Computation (316)

Bibliography

ÅezÃ¡Ä, J., & Hobza, P. (2011). Extrapolation and Scaling of the DFT-SAPT Interaction Energies toward the Basis Set Limit. Journal of Chemical Theory and Computation, 7(3), 685â689.

Authors 2

Jan Řezáč (first)
Pavel Hobza (additional)

References 21 Referenced 69

10.1021/jp003883p / J. Phys. Chem. A by Williams H. L. (2001)
10.1021/jp0112774 / J. Phys. Chem. A by Jansen G. (2001)
10.1021/cr00031a008 / Chem. Rev. by Jeziorski B. (1994)
10.1021/ja0633363 / J. Am. Chem. Soc. by Hesselmann A. (2006)
10.1021/jp104411x / J. Phys. Chem. A by Sedlák R. (2010)
10.1021/ct800508v / J. Chem. Theory Comput. by Berka K. (2009)
10.1021/cr1000173 / Chem. Rev. by Riley K. E. (2010)
10.1063/1.456153 / J. Chem. Phys. by Dunning T. H. (1989)
10.1063/1.466439 / J. Chem. Phys. by Woon D. E. (1994)
Werner, H.; Knowles, P. J.; Manby, F. R.; Schütz, M.; Celani, P.; Knizia, G.; Korona, T.; Lindh, R.; Mitrushenkov, A.; Rauhut, G.; Adler, T. B.; Amos, R. D.; Bernhardsson, A.; Berning, A.; Cooper, D. L.; Deegan, M. J. O.; Dobbyn, A. J.; Eckert, F.; Goll, E.; Hampel, C.; Hesselmann, A.; Hetzer, G.; Hrenar, T.; Jansen, G.; Köppl, C.; Liu, Y.; Lloyd, A. W.; Mata, R. A.; May, A. J.; McNicholas, S. J.; Meyer, W.; Mura, M. E.; Nicklass, A.; Palmieri, P.; Pflüger, K.; Pitzer, R.; Reiher, M.; Shiozaki, T.; Stoll, H.; Stone, A. J.; Tarroni, R.; Thorsteinsson, T.; Wang, M.; Wolf, A.MOLPRO, version 2009.1, a package of ab initio programs; molpro, 2009.
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10.1063/1.1824880 / J. Chem. Phys. by Schwenke D. W. (2005)
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10.1002/cphc.200800286 / Chem. Eur. J. Chem. Phys. by Pitoňák M. (2008)
10.1016/S0009-2614(99)00179-7 / Chem. Phys. Lett. by Halkier A. (1999)
10.1021/ja076781m / J. Am. Chem. Soc. by Fiethen A. (2008)
10.1039/b709192c / Phys. Chem. Chem. Phys. by Podeszwa R. (2007)

Dates

Type	When
Created	14 years, 6 months ago (Feb. 10, 2011, 8:18 a.m.)
Deposited	2 years, 4 months ago (April 15, 2023, 7:18 p.m.)
Indexed	2 months, 1 week ago (June 17, 2025, 4:46 a.m.)
Issued	14 years, 6 months ago (Feb. 10, 2011)
Published	14 years, 6 months ago (Feb. 10, 2011)
Published Online	14 years, 6 months ago (Feb. 10, 2011)
Published Print	14 years, 5 months ago (March 8, 2011)

Funders 0

None

BibTeX

@article{_ez__2011, title={Extrapolation and Scaling of the DFT-SAPT Interaction Energies toward the Basis Set Limit}, volume={7}, ISSN={1549-9626}, url={http://dx.doi.org/10.1021/ct200005p}, DOI={10.1021/ct200005p}, number={3}, journal={Journal of Chemical Theory and Computation}, publisher={American Chemical Society (ACS)}, author={Řezáč, Jan and Hobza, Pavel}, year={2011}, month=feb, pages={685–689} }

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