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Force Constant (Anharmonic) - MaRDI portal

Force Constant (Anharmonic) (Q6673744)

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coefficients of the nth (n>=3) order term in a Taylor expansion of the potential energy wrt displacements from a minimum energy configuration
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Force Constant (Anharmonic)
coefficients of the nth (n>=3) order term in a Taylor expansion of the potential energy wrt displacements from a minimum energy configuration

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    Cubic, quartic, ... anharmonic force constants are the coefficients of the third, fourth, ... order term in a Taylor expansion of the potential energy wrt displacements from a minimum energy configuration.
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