Takeshi Yoshikawa

次席研究員(研究院講師)

  • 133 Citations
  • 6 h-Index
20102019
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  • 4 Similar Profiles
Excited states Chemical Compounds
Polyenes Chemical Compounds
Density functional theory Chemical Compounds
self consistent fields Physics & Astronomy
scaling Physics & Astronomy
Electron correlations Chemical Compounds
Fermi level Chemical Compounds
Proteins Engineering & Materials Science

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Research Output 2010 2019

  • 133 Citations
  • 6 h-Index
  • 17 Article
  • 1 Chapter
Excited states
Polyethylene
Aldehydes
Pigments
Ground state
Electron correlations
self consistent fields
scaling
direct current
electrons

Fractional-occupation-number based divide-and-conquer coupled-cluster theory

Yoshikawa, T. & Nakai, H., 2018 Nov 16, In : Chemical Physics Letters. 712, p. 184-189 6 p.

Research output: Contribution to journalArticle

Polyenes
Single-walled carbon nanotubes (SWCN)
occupation
Distribution functions
Costs
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
1 Citation (Scopus)

A Linear-Scaling Divide-and-Conquer Quantum Chemical Method for Open-Shell Systems and Excited States

Yoshikawa, T. & Nakai, H., 2017 Jun 21, Fragmentation: Toward Accurate Calculations on Complex Molecular Systems. wiley, p. 297-321 25 p.

Research output: Chapter in Book/Report/Conference proceedingChapter

Excited states
Quantum chemistry
Molecular orbitals
Electronic structure
Density functional theory