Shusuke Yamanaka

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

Theoretical illumination of water-inserted structures of the CaMn4O5 cluster in the S2 and S3 states of oxygen-evolving complex of photosystem II: full geometry optimizations by B3LYP hybrid density functional

Hiroshi Isobe, Mitsuo Shoji, Shusuke Yamanaka et al. · Dalton Transactions · 2012 · 191 citations

Engineering, Theoretical Inorganic Chemistry, Inorganic Photochemistry +22

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

EHF theory of chemical reactions Part 4. UNO CASSCF, UNO CASPT2 and R(U)HF coupled-cluster (CC) wavefunctions

Shusuke Yamanaka, Mitsutaka Okumura, Masayoshi Nakano et al. · Journal of Molecular Structure · 1994 · 129 citations

Cluster Science, Engineering, Uno Caspt2 +10