[1] Nagoya Univ, Dept Chem, Nagoya, Aichi, Japan
[2] Oak Ridge Natl Lab, Computat Sci & Engn Div, Oak Ridge, TN USA
[3] Univ Tsukuba, Ctr Computat Sci, Tsukuba, Ibaraki, Japan
[4] Kyoto Univ, Fukui Inst Fundamental Chem, Kyoto, Japan
[5] Natl Inst Adv Ind Sci & Technol, Res Ctr Computat Design Adv Funct Mat CD FMat, Tsukuba, Ibaraki, Japan