159 citations · 498 across the 12 of their papers we have counts for
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cond-mat.str-el2018★ 9 cited
Multiple impurities and combined local density approximations in Site-Occupation Embedding Theory
Bruno Senjean, Naoki Nakatani, Masahisa Tsuchiizu +1
Site-occupation embedding theory (SOET) is an in-principle-exact multi-determinantal extension of density-functional theory for model Hamiltonians. Various extensions of recent dev…
astro-ph.GA2018★ 72 cited
Adsorption energies of carbon, nitrogen, and oxygen atoms on the low-temperature amorphous water ice: A systematic estimation from quantum chemistry calculations
Takashi Shimonishi, Naoki Nakatani, Kenji Furuya +1
We propose a new simple computational model to estimate adsorption energies of atoms and molecules to low-temperature amorphous water ice, and we present the adsorption energies of…