The 99th CSJ Annual Meeting

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Academic Program (AP) [Poster]

Theoretical Chemistry, Chemoinformatics, and Computational Chemistry

Theoretical Chemistry, Chemoinformatics, and Computational Chemistry

Sun. Mar 17, 2019 10:00 AM - 11:30 AM P (Arena, Gymnasium and Auditorium [1F])

Presentation time：Odd Poster Number 10:00-10:45 / Even Poster Number 10:45-11:30

[2PA-166] Projector Augmented Wave Method Incorporated into Gauss-type Atomic Orbital Based Density Functional Theory

Poster

○SUGIURA, Akira; XIONG, Xiao-gen; YANAI, Takeshi (Sch. Sci., Nagoya Univ.)

Keywords:projector augmented wave method、plane wave basis、gauss-type orbital basis、pseudo potential、density functional theory

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