Yasuhiro Ikabata

次席研究員(研究院講師)

  • 180 Citations
  • 8 h-Index
20072019
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  • 5 Similar Profiles
Density functional theory Chemical Compounds
Molecular orbitals Chemical Compounds
molecular orbitals Physics & Astronomy
Carrier concentration Chemical Compounds
density functional theory Physics & Astronomy
orbitals Physics & Astronomy
Electron correlations Chemical Compounds
Atoms Chemical Compounds

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Research Output 2007 2019

  • 180 Citations
  • 8 h-Index
  • 22 Article
  • 1 Comment/debate

Extension and acceleration of relativistic density functional theory based on transformed density operator

Ikabata, Y., Oyama, T., Hayami, M., Seino, J. & Nakai, H., 2019 Apr 28, In : Journal of Chemical Physics. 150, 16, 164104.

Research output: Contribution to journalArticle

Open Access
Density functional theory
Mathematical operators
density functional theory
operators
Hamiltonians
Open Access
Electron correlations
flux density
Carrier concentration
electrons
Molecular orbitals
Kinetic energy
Carrier concentration
Physics
flux density
kinetic energy
1 Citation (Scopus)

Quantum chemical approach for positron annihilation spectra of atoms and molecules beyond plane-wave approximation

Ikabata, Y., Aiba, R., Iwanade, T., Nishizawa, H., Wang, F. & Nakai, H., 2018 May 14, In : Journal of Chemical Physics. 148, 18, 184110.

Research output: Contribution to journalArticle

Positron annihilation
Positrons
positron annihilation
plane waves
Molecular orbitals
1 Citation (Scopus)

RAQET: Large-Scale Two-Component Relativistic Quantum Chemistry Program Package

Hayami, M., Seino, J., Nakajima, Y., Nakano, M., Ikabata, Y., Yoshikawa, T., Oyama, T., Hiraga, K., Hirata, S. & Nakai, H., 2018 Jan 1, (Accepted/In press) In : Journal of Computational Chemistry.

Research output: Contribution to journalArticle

Quantum electronics
Quantum Chemistry
Quantum chemistry
Electronics
Hamiltonians