Normal mode (intermolecular)

describing molecular vibrations in terms of normal modes, beyond the harmonic approximation, and including intermolecular interactions

Description

Thus describing cluster effects, solvent effects etc.

Contained entities

quantum eigen energy (intermolecular)
quantum Hamiltonian (normal mode, intermolecular)	$\hat{H} \equiv \frac{1}{2} \sum_{i = 1}^{3 N - 6} ω_{i} ({\hat{p}}_{i}^{2} + {\hat{q}}_{i}^{2}) + \frac{1}{6} \sum_{i j k} ϕ_{i j k} q_{i} q_{j} q_{k} + \frac{1}{24} \sum_{i j k l} ϕ_{i j k l} q_{i} q_{j} q_{k} q_{l} + \hat{U} (q)$
	$N$ represents number of particles
	$U$ represents intermolecular potential
	$\hat{H}$ represents Hamiltonian operator
	$ω$ represents vibration frequency (harmonic)
	$ϕ$ represents force constant (anharmonic)
	$\hat{p}$ represents normal mode momentum
	$\hat{q}$ represents normal coordinate

References

Solvent effects in vibrational spectroscopy
Structure and spectra of molecular clusters

Specializations

Further links

Item	Property
molecular vibration	modelled by
normal mode	specialized by

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