密度泛函理论下的分子电负性Ⅲ: 分子总能量的直接计算

沈尔忠,杨忠志

Molecular electronegativity in density functional theoryⅢ: Direct calculation of total molecular energy

SHEN ERZHONG;YANG ZHONGZHI

化学学报 . 1996, (2): 152 -159 .