A hybrid framework of first principles molecular orbital calculations and a three-dimensional integral equation theory for molecular liquids: Multi-center molecular Ornstein–Zernike self-consistent field approach
A hybrid framework of first principles molecular orbital calculations and a three-dimensional integral equation theory for molecular liquids: Multi-center molecular Ornstein–Zernike self-consistent field approach
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第一原理分子轨道计算和分子液体三维积分方程理论的混合框架:多中心分子 Ornstein
DOI:
10.1063/1.4923007
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发表时间:
2015
期刊:
影响因子:
--
通讯作者:
and H. Sato
中科院分区:
文献类型:
--
作者:
K. Kido; K. Kasahara;D. Yokogawa; and H. Sato