Development of the post-Hartree-Fock correlation model using machine learning

Presentation information

Academic Program (AP)

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

4:30 PM - 4:40 PM

[1D6-46] Development of the post-Hartree-Fock correlation model using machine learning

○NUDEJIMA, Takuro; IKABATA, Yasuhiro; SEINO, Junji; YOSHIKAWA, Takeshi; KAGEYAMA, Ryo; NAKAI, Hiromi (Grad. Sch. Advanced Sci. Eng., Waseda Univ.)

PC Setting Time : 15:40 - 15:50

Keywords:Machine Learning、Electron Correlation、Energy Density Analysis、Complete Basis Set Limit、Density Functional Theory

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