General Formulations of Finite—field Method Classified by Symmetry for Molecular Linear and Nonlinea

• 作 者: 陈锡华 林晨升 等
• 机 构: ChineseAcadSci
• 出 处: 结构化学
• 发表日期: 2001年5期
• 关键词: 点群对称 有限场近似 线性分子 结构 非线性分子 极化度 极化 nonlinear optical polarizability finite-field a
• 基金项目: 国家科学基金，国家自然科学基金，结构化学重点实验室基金

The formulations of the finite-field approach to calculate the linear and non-linear optical coefficients mi, aij, bijk and gijkl of a molecular system with different symmetries have been deduced and summarized. The possible choices of the energy sets of