The 99th CSJ Annual Meeting

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Academic Program (AP)

Theoretical Chemistry, Chemoinformatics, and Computational Chemistry

Theoretical Chemistry, Chemoinformatics, and Computational Chemistry

Sat. Mar 16, 2019 1:30 PM - 4:50 PM D6 (336, Bldg. 3 [3F])

1D6-28～1D6-33　TAKANO, Yu
1D6-35～1D6-39　GOTO, Hitoshi
1D6-42～1D6-47　YANAI, Takeshi

PM

4:20 PM - 4:30 PM

[1D6-45] Development of single-reference-type static-correlation method for large systems

Oral A

○DOI, Toshiki; YOSHIKAWA, Takeshi; NAKAI, Hiromi (Grad. Sch. Advanced Sci. Eng., Waseda Univ.)

PC Setting Time : 15:40 - 15:50

Keywords:Divide-and-conquer method、Linear scaling、Static correlation、Degenerate systems、Singlet-triplet gap

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