【摘要】 目的　研究晶格振动非谐效应的计算 .方法　假定非谐振子能级可按微扰因子 g展成位移算符的幂级数 ,并计算展开系数 .结果　给出非谐振子在二阶近似下的能级计算公式 ,并提出了计算非谐因子 g3,g4的方法 .结论　原子对势的泰勒展开在一定范围内可用于微扰近似中的计算更多还原

【Abstract】 Aim\ To investigate the calculation of the anharmonic effect in the lattice vibrations. Methods\ It is assumed that the energy of an anharmonic vibrator can be expanded in powers of the perturbation parameter \%g\%, and the coefficient can be determined in perturbation expansion.Results\ The computing formula of energy levels is given, which is described in the second order approximation. We obtain the computing methods for determining the anharmonic coefficients \%g\-3\% and \%g\-4\%. Conclusion\ The method can be applied to the perturbative approximation of interatomic potentials to a certain extent.更多还原