anharmonicity

基本解釋

After the calculation of frozen phonon method, we suppose that this difference is caused by the large anharmonicity of mode.
對于模，我們采用線性響應計算的結(jié)果與實驗值差別較大。
It works better than the [[quantum harmonic oscillator]] model, because it accounts for [[anharmonicity]], overtone frequencies, and combination frequencies.
相對[[量子諧振子]]模型，'''Morse 勢'''更真實，因為它能描述[[非諧效應]]，倍頻，以及組合頻率。
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.
在該理論模型中增加的高階離心畸變項和高階微擾項可適當?shù)亟档蚏enner-Teller效應、非諧共振、Fermi共振等帶來的擬合的標準偏差。
Keywords Kink Anharmonicity Effective mass;
扭結(jié);非諧性;有效質(zhì)量;
local anharmonicity approximation
局域非簡諧近似