Abstract

The paper considers the relativistic Renner effect ⁴Π × π, which occurs in linear triatomic molecules containing heavy atoms. The vibronic matrix is calculated in the three-electron model. The electronic Hamiltonian is expanded in a Taylor series in π-modes taking into account the terms of the main, first, and second orders. To calculate nonzero elements in the vibronic matrix, group selection rules and vibronic symmetry operators are used to minimize the number of independent parameters in the vibronic matrix. The vibronic matrix has a dimension of 8 × 8 and its eigenvalues (potential surfaces) can be calculated only by numerical methods.

中文翻译：

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相对论的伦纳效应4Π×π

摘要

本文考虑相对论的伦纳效应⁴ ×π，它发生在含有重原子的线性三原子分子中。振动矩阵在三电子模型中计算。考虑到主，一阶和二阶项，电子哈密顿量以泰勒级数扩展为π模式。要计算振动矩阵中的非零元素，可使用组选择规则和对称对称算子来最小化振动矩阵中独立参数的数量。振动矩阵的尺寸为8×8，其特征值（势面）只能通过数值方法计算。