Takashi Kawakami

A general algorithm for calculation of Heisenberg exchange integrals J in multispin systems

Mitsuo Shoji, Kenichi Koizumi, Yasutaka Kitagawa et al. · Chemical Physics Letters · 2006 · 330 citations

Numerical Analysis, Numerical Computation, Engineering +11

Effective exchange integrals for open-shell species by density functional methods

Shusuke Yamanaka, Takashi Kawakami, Hirotaka Nagao et al. · Chemical Physics Letters · 1994 · 312 citations

Engineering, Physics, Natural Sciences +7

Approximately spin-projected geometry optimization method and its application to di-chromium systems

Yasutaka Kitagawa, Tôru Saitô, M. Ito et al. · Chemical Physics Letters · 2007 · 140 citations

Numerical Analysis, Di-chromium Systems, Engineering +8

Analytical and ab initio studies of effective exchange interactions, polyradical character, unpaired electron density, and information entropy in radical clusters (<i>R</i>)_<i>N</i>: Allyl radical cluster (<i>N</i>=2–10) and hydrogen radical cluster (<i>N</i>=50)

Kizashi Yamaguchi, Takashi Kawakami, Yu Takano et al. · International Journal of Quantum Chemistry · 2002 · 130 citations · Full text

Cluster Science, Allyl Radical Dimers, Molecule-based Magnet +12

Antiferromagnetic coupling of transition metal spins across pyrimidine and pyrazine bridges in dinuclear manganese(ii), cobalt(ii), nickel(ii) and copper(ii) 1,1,1,5,5,5-hexafluoropentane-2,4-dionate complexes

Takayuki Ishida, Takashi Kawakami, S. Mitsubori et al. · Journal of the Chemical Society Dalton Transactions · 2002 · 96 citations

Magnetic Properties, Pyrazine Bridges, Engineering +20