Quantum Hamiltonian (Normal Mode, Harmonic) (Q6674524): Difference between revisions

Revision as of 17:56, 7 July 2025

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

Language	Label	Description	Also known as
English	Quantum Hamiltonian (Normal Mode, Harmonic)	quantum-mechanical represention of molecular normal modes of vibration within the harmonic approximation

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N

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\hat{H}

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ω

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p

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q

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\hat{H} = {\frac{1 / 2}{\sum}}_{i = 1}^{3 N - 6} ω_{i} ({\hat{p}}_{i}^{2} + {\hat{q}}_{i}^{2})

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@@ Property / defining formula @@
- $\hat{H} = \frac{1}{2} \sum_{i = 1}^{3 N - 6} ω_{i} ({\hat{p}}_{i}^{2} + {\hat{q}}_{i}^{2})$ 
\hat{H}=\frac{1}{2}\sum_{i=1}^{3N-6}\omega_i\left(\hat{p}_i^2+\hat{q}_i^2\right)
-Normal rank
@@ Property / defining formula @@
+ $\hat{H} = {\frac{1 / 2}{\sum}}_{i = 1}^{3 N - 6} ω_{i} ({\hat{p}}_{i}^{2} + {\hat{q}}_{i}^{2})$ 
\hat{H}=\frac{1/2}\sum_{i=1}^{3N-6}\omega_i\left(\hat{p}_i^2+\hat{q}_i^2\right)
+Normal rank