16th international congress of quantum chemistry (16-ICQC) was held in France

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In 16th international congress of quantum chemistry (16-ICQC), there were three presentations from our group.

Date：Jun. 18-23, 2018
Place：‘le Palais de l’Europe’ in the town of Menton, France

Invited Talk

    • Hiromi Nakai, “What is the Best Choice of Embedding-Fragmentation Scheme for Practical Quantum Chemical Simulation?”, L44, 2018/6/23 10:45-11:15.

Poster Presentation

  • Yasuhiro Ikabata, Takuro Oyama, Masao Hayami, Junji Seino, Hiromi Nakai, “Development of picture-change corrected relativistic density functional theory”, A124, 2018/6/19 18:00-22:00.
  • Takeshi Yoshikawa, Hiromi Nakai, “Divide-and-conquer-based higher-order electron-correlation methods”, B164, 2018/6/20 18:00-22:00.

An international co-authored paper on positron annihilation spectra by the NOMO method was published in J. Chem. Phys.

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An international co-authored paper on positron annihilation spectra by the NOMO method was published in J. Chem. Phys.

“Quantum chemical approach for positron annihilation spectra of atoms and molecules beyond plane-wave approximation”
Y. Ikabata, R. Aiba, T. Iwanade, H. Nishizawa, F. Wang, H. Nakai, J. Chem. Phys. in press (2018).

A review paper on the practical relativistic quantum chemistry calculation program RAQET developed in CREST research was accepted in J. Comput. Chem.

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A review paper on the practical relativistic quantum chemistry calculation program RAQET developed in CREST research was accepted in J. Comput. Chem.

“RAQET: Large-scale two-component relativistic quantum chemistry program package”,
M. Hayami, J. Seino, Y. Nakajima, M. Nakano, Y. Ikabata, T. Yoshikawa, T. Oyama, K. Hiraga, S. Hirata, H. Nakai, J. Comput. Chem., in press (2018).