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Kobayashi, Masato, Nakai, Hiromi (2012) How does it become possible to treat delocalized and/or open-shell systems in fragmentation-based linear-scaling electronic structure calculations? The case of the divide-and-conquer method. Physical Chemistry Chemical Physics, 14 (21). 7629pp. doi:10.1039/c2cp40153c

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Reference TypeJournal (article/letter/editorial)
TitleHow does it become possible to treat delocalized and/or open-shell systems in fragmentation-based linear-scaling electronic structure calculations? The case of the divide-and-conquer method
JournalPhysical Chemistry Chemical Physics
AuthorsKobayashi, MasatoAuthor
Nakai, HiromiAuthor
Year2012Volume14
Issue21
PublisherRoyal Society of Chemistry (RSC)
DOIdoi:10.1039/c2cp40153cSearch in ResearchGate
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Mindat Ref. ID4017166Long-form Identifiermindat:1:5:4017166:3
GUID0
Full ReferenceKobayashi, Masato, Nakai, Hiromi (2012) How does it become possible to treat delocalized and/or open-shell systems in fragmentation-based linear-scaling electronic structure calculations? The case of the divide-and-conquer method. Physical Chemistry Chemical Physics, 14 (21). 7629pp. doi:10.1039/c2cp40153c
Plain TextKobayashi, Masato, Nakai, Hiromi (2012) How does it become possible to treat delocalized and/or open-shell systems in fragmentation-based linear-scaling electronic structure calculations? The case of the divide-and-conquer method. Physical Chemistry Chemical Physics, 14 (21). 7629pp. doi:10.1039/c2cp40153c
In(2012) Physical Chemistry Chemical Physics Vol. 14 (21) Royal Society of Chemistry (RSC)

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Kobayashi, Masato, Touma, Tsuguki, Nakai, Hiromi (2012) Dynamic hyperpolarizability calculations of large systems: The linear-scaling divide-and-conquer approach. The Journal of Chemical Physics, 136 (8). 84108pp. doi:10.1063/1.3687341
Akama, Tomoko, Fujii, Atsuhiko, Kobayashi, Masato, Nakai, Hiromi (2007) Is the divide-and-conquer Hartree–Fock method valid for calculations of delocalized systems?. Molecular Physics, 105. 2799-2804 doi:10.1080/00268970701642267
Kobayashi, Masato, Nakai, Hiromi (2008) Extension of linear-scaling divide-and-conquer-based correlation method to coupled cluster theory with singles and doubles excitations. The Journal of Chemical Physics, 129 (4). 44103pp. doi:10.1063/1.2956490
Kobayashi, Masato, Imamura, Yutaka, Nakai, Hiromi (2007) Alternative linear-scaling methodology for the second-order Møller-Plesset perturbation calculation based on the divide-and-conquer method. The Journal of Chemical Physics, 127 (7). 74103pp. doi:10.1063/1.2761878
Kobayashi, Masato, Yoshikawa, Takeshi, Nakai, Hiromi (2010) Divide-and-conquer self-consistent field calculation for open-shell systems: Implementation and application. Chemical Physics Letters, 500. 172-177 doi:10.1016/j.cplett.2010.10.005
Nakai, Hiromi, Kobayashi, Masato, Yoshikawa, Takeshi, Seino, Junji, Ikabata, Yasuhiro, Nishimura, Yoshifumi (2023) Divide-and-Conquer Linear-Scaling Quantum Chemical Computations. The Journal of Physical Chemistry A, 127 (3) 589-618 doi:10.1021/acs.jpca.2c06965
Kobayashi, Masato, Nakai, Hiromi (2009) Divide-and-conquer-based linear-scaling approach for traditional and renormalized coupled cluster methods with single, double, and noniterative triple excitations. The Journal of Chemical Physics, 131 (11). 114108pp. doi:10.1063/1.3211119
Touma, Tsuguki, Kobayashi, Masato, Nakai, Hiromi (2010) Time-dependent Hartree–Fock frequency-dependent polarizability calculation applied to divide-and-conquer electronic structure method. Chemical Physics Letters, 485. 247-252 doi:10.1016/j.cplett.2009.12.043
Yoshikawa, Takeshi, Kobayashi, Masato, Fujii, Atsuhiko, Nakai, Hiromi (2013) Novel Approach to Excited-State Calculations of Large Molecules Based on Divide-and-Conquer Method: Application to Photoactive Yellow Protein. The Journal of Physical Chemistry B, 117 (18). 5565-5573 doi:10.1021/jp401819d
KOBAYASHI, Masato, AKAMA, Tomoko, NAKAI, Hiromi (2009) Implementation of Divide-and-Conquer (DC) Electronic Structure Code to GAMESS Program Package. Journal of Computer Chemistry, Japan, 8 (1). 1-12 doi:10.2477/jccj.h2027
Yoshikawa, Takeshi, Doi, Toshiki, Nakai, Hiromi (2019) Finite-temperature-based linear-scaling divide-and-conquer self-consistent field method for static electron correlation systems. Chemical Physics Letters, 725. 18-23 doi:10.1016/j.cplett.2019.04.001
 
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