摘要
一般地定义了分子柔度矩阵F;证明了分子柔度F_(ij)是相应内坐标R_i和R_j的固有常数,它表示分子在沿R_j方向的单位外力作用下达平衡时沿R_i方向的位移;导出了分子柔度和规则。
The molecular flexibility matrix F is generally defined. It is proved that the molecular flexibility f_(ij), which represents the displacement along R_i when the molecule balances under the unit external force along R_j, is the natural constant of the corresponding internal coordinates R_i and R_j. The sum rule of the molecular flexibilities is derived.
关键词
分子振动
分子柔度
分子力常数
molecular vibration, molecular flexibility, molecular force constant
