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Anharmonicity information


Potential energy of a diatomic molecule as a function of atomic spacing. When the molecules are too close or too far away, they experience a restoring force back towards u0. (Imagine a marble rolling back and forth in the depression.) The blue curve is close in shape to the molecule's actual potential well, while the red parabola is a good approximation for small oscillations. The red approximation treats the molecule as a harmonic oscillator, because the restoring force, -V'(u), is linear with respect to the displacement u.

In classical mechanics, anharmonicity is the deviation of a system from being a harmonic oscillator. An oscillator that is not oscillating in harmonic motion is known as an anharmonic oscillator where the system can be approximated to a harmonic oscillator and the anharmonicity can be calculated using perturbation theory. If the anharmonicity is large, then other numerical techniques have to be used. In reality all oscillating systems are anharmonic, but most approximate the harmonic oscillator the smaller the amplitude of the oscillation is.

As a result, oscillations with frequencies and etc., where is the fundamental frequency of the oscillator, appear. Furthermore, the frequency deviates from the frequency of the harmonic oscillations. See also intermodulation and combination tones. As a first approximation, the frequency shift is proportional to the square of the oscillation amplitude :

In a system of oscillators with natural frequencies , , ... anharmonicity results in additional oscillations with frequencies .

Anharmonicity also modifies the energy profile of the resonance curve, leading to interesting phenomena such as the foldover effect and superharmonic resonance.

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Anharmonicity

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anharmonicity results in additional oscillations with frequencies ω α ± ω β {\displaystyle \omega _{\alpha }\pm \omega _{\beta }} . Anharmonicity also...

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Transmon

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decrease the sensitivity to charge noise, while maintaining a sufficient anharmonicity for selective qubit control". The transmon achieves its reduced sensitivity...

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Hot band

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ground state. However, vibrations of real molecules always have some anharmonicity, which causes coupling between different vibrational modes that in turn...

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Molecular vibration

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to an anharmonic oscillator; the observation of overtones is only possible because vibrations are anharmonic. Another consequence of anharmonicity is that...

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Selection rule

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overtones are forbidden in both infrared and Raman spectra. However, when anharmonicity is taken into account, the transitions are weakly allowed. In Raman...

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Morse potential

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such as the existence of unbound states. It also accounts for the anharmonicity of real bonds and the non-zero transition probability for overtone and...

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Hydrogen chloride

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all molecules are in the ground vibrational state v = 0. Including anharmonicity the vibrational energy can be written as. E v = h ν e ( v + 1 2 ) +...

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Thermal conductivity and resistivity

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for thermal conductivity in high temperatures accordingly. Describing anharmonic effects is complicated because an exact treatment as in the harmonic case...

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Silver iodide

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Yoshiasa, A.; Koto, K.; Kanamaru, F.; Emura, S.; Horiuchi, H. (1987). "Anharmonic thermal vibrations in wurtzite-type AgI". Acta Crystallographica Section...

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Rayleigh scattering

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higher temperatures the Rayleigh-type scattering regime is obscured by the anharmonic damping (typically with a ~λ−2 dependence on wavelength), which becomes...

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Metallic hydrogen

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Geng, Hua Y. (2022-11-17). "Full Temperature-Dependent Potential and Anharmonicity in Metallic Hydrogen: Colossal NQE and the Consequences". The Journal...

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Allosteric regulation

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within the interior may act to transmit such signals. ASD database Anharmonicity Competitive inhibition Cooperative binding Enzyme kinetics Protein dynamics...

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Zinc oxide

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Millot M, Tena-Zaera R, Munoz-Sanjose V, Broto JM, Gonzalez J (2010). "Anharmonic effects in ZnO optical phonons probed by Raman spectroscopy". Applied...

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Werner Heisenberg

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to realistic problems, so Heisenberg turned to a simpler example, the anharmonic oscillator. The dipole oscillator consists of a simple harmonic oscillator...

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Superconducting quantum computing

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advantage of the fluxonium qubit biased at the sweet spot is the large anharmonicity, which allows fast local microwave control and mitigates spectral crowding...

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Infrared spectroscopy

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harmonic motion, they rather tend to deviate from it or, there exists anharmonicity in real life molecular vibrational motion. A purely empirical expression...

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Sound

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of sound is also slightly sensitive, being subject to a second-order anharmonic effect, to the sound amplitude, which means there are non-linear propagation...

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Approximately harmonic Tuned percussion Not harmonic Untuned percussion Anharmonicity Pseudo-octave Subharmonic How harmonic are harmonics? by Joe Wolfe,...

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Ozone

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2022-07-13. Tanaka, Takehiko; Morino, Yonezo (1970). "Coriolis interaction and anharmonic potential function of ozone from the microwave spectra in the excited...

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Negative thermal expansion

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cases are qualitatively different. In 1D thermal expansion is caused by anharmonicity of interatomic potential only. Therefore, the sign of thermal expansion...

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Thermoelectric materials

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model used to determine the lattice thermal conductivity, κL, the highly anharmonic behavior due to phonon scattering results in a large thermal resistance...

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Harmonic oscillator

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and all its potential energy converts to kinetic energy of the mass. Anharmonicity Critical speed Effective mass (spring–mass system) Normal mode Parametric...

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Phonon scattering

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^{2}}{\omega _{D}}}} where γ {\displaystyle \gamma } is the Gruneisen anharmonicity parameter, μ is the shear modulus, V0 is the volume per atom and ω D...

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Quasiparticle

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solid with just one phonon, because the crystal vibration is slightly anharmonic. However, in many materials, the elementary excitations are very close...

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