anharmonicity

基本解释

After the calculation of frozen phonon method, we suppose that this difference is caused by the large anharmonicity of mode.
对于模，我们采用线性响应计算的结果与实验值差别较大。
It works better than the [[quantum harmonic oscillator]] model, because it accounts for [[anharmonicity]], overtone frequencies, and combination frequencies.
相对[[量子谐振子]]模型，'''Morse 势'''更真实，因为它能描述[[非谐效应]]，倍频，以及组合频率。
The high-order terms added in the Hamiltonian expressionscan somewhat reduce the fitting deviations probably caused by the strong Renner-Teller effect, anharmonicity and Fermi resonance.
在该理论模型中增加的高阶离心畸变项和高阶微扰项可适当地降低Renner-Teller效应、非谐共振、Fermi共振等带来的拟合的标准偏差。
Keywords Kink Anharmonicity Effective mass;
扭结;非谐性;有效质量;
local anharmonicity approximation
局域非简谐近似