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Fingerprint Dive into the research topics where Hiromi Nakai is active. These topic labels come from the works of this person. Together they form a unique fingerprint.

  • 3 Similar Profiles
Density functional theory Chemical Compounds
Molecular orbitals Chemical Compounds
Excited states Chemical Compounds
orbitals Physics & Astronomy
Molecules Chemical Compounds
Electrons Chemical Compounds
Electron correlations Chemical Compounds
molecular orbitals Physics & Astronomy

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Research Output 1990 2019

Bond Energy Density Analysis Combined with Informatics Technique

Nakai, H., Seino, J. & Nakamura, K., 2019 Sep 12, In : The journal of physical chemistry. A. 123, 36, p. 7777-7784 8 p.

Research output: Contribution to journalArticle

Chemical bonds
flux density
Linear equations
chemical bonds
3 Citations (Scopus)
Divide and conquer
Density Functional
Quantum Systems
Molecular Dynamics Simulation
1 Citation (Scopus)
Excited states
Ground state
1 Citation (Scopus)
integral transformations
Carrier concentration
self consistent fields
1 Citation (Scopus)

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