quantum Hamiltonian (normal mode, anharmonic) (Q6674522)

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quantum-mechanical represention of molecular normal modes of vibration beyond the harmonic approximation

Language	Label	Description	Also known as
default for all languages	No label defined
English	quantum Hamiltonian (normal mode, anharmonic)	quantum-mechanical represention of molecular normal modes of vibration beyond the harmonic approximation

Statements

\hat{H} \equiv \frac{1}{2} \sum_{i = 1}^{3 N - 6} ω_{i} ({\hat{p}}_{i}^{2} + {\hat{q}}_{i}^{2}) + \frac{1}{6} \sum_{i j k} ϕ_{i j k} q_{i} q_{j} q_{k} + \frac{1}{24} \sum_{i j k l} ϕ_{i j k l} q_{i} q_{j} q_{k} q_{l}

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N

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ω

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ϕ_{i j k l}

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ϕ_{i j k}

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\hat{p}

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\hat{q}

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\hat{H}

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