Our group member gave 1 oral presentations and 2 poster presentations at 2018 Spring Meeting of The Society of Computer Chemistry, Japan (SCCJ).
Monthly Archives: May 2018
An international co-authored paper on positron annihilation spectra by the NOMO method was published in J. Chem. Phys.
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.
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).