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Communication: An improved linear scaling perturbative triples correction for the domain based local pair-natural orbital based singles and doubles coupled cluster method [DLPNO-CCSD(T)]

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Guo,  Yang
Research Department Neese, Max Planck Institute for Chemical Energy Conversion, Max Planck Society;

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Riplinger,  Christoph
Research Department Neese, Max Planck Institute for Chemical Energy Conversion, Max Planck Society;

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Becker,  Ute
Research Department Neese, Max Planck Institute for Chemical Energy Conversion, Max Planck Society;

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Liakos,  Dimitrios G.
Research Department Neese, Max Planck Institute for Chemical Energy Conversion, Max Planck Society;

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Neese,  Frank
Research Department Neese, Max Planck Institute for Chemical Energy Conversion, Max Planck Society;

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Citation

Guo, Y., Riplinger, C., Becker, U., Liakos, D. G., Minenkov, Y., Cavallo, L., et al. (2018). Communication: An improved linear scaling perturbative triples correction for the domain based local pair-natural orbital based singles and doubles coupled cluster method [DLPNO-CCSD(T)]. The Journal of Chemical Physics, 148(1): 011101, pp. 011101-1-011101-5. doi:10.1063/1.5011798.


Cite as: https://hdl.handle.net/21.11116/0000-0005-964D-C
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