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Influence of the intramolecular interactions on intermolecular potential matrix elements

机译:分子内相互作用对分子间潜在基质元素的影响

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General analytical expressions for non-diagonal matrix elements of intermolecular potential operator are found using the theory of linked ordering schemes for ro-vibrational interactions. Non-diagonal matrix elements corresponds the long range electrostatic interactions in the system H_2O-H_2. Earlier the diagonal matrix elements of intermolecular potential operator were obtained. It is calculated the influence of the vibrational anharmonism on the non-diagonal matrix elements of intermolecular potential does not exceed 12%.
机译:使用具有RO-Viblational相互作用的链接排序方案的理论,找到分子间潜在操作员非对角线矩阵元件的一般分析表达式。非对角线矩阵元素对应于系统H_2O-H_2中的长距离静电相互作用。之前,获得了分子间潜在操作员的对角线矩阵元件。计算振动anharmoniss对分子间潜力的非对角线元素的影响不超过12%。

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