Abstract
The dynamics and the Hamiltonian of a general asymmetric-top molecule undergoing almost arbitrary deformations are discussed. s vector notations are used for translational, rotational, and internal-velocity coordinates. The kinetic energy is formulated by generalizing the G-matrix technique known from the theory of molecular vibrations. A geometrical definition of the rotational coordinates referring to the instantaneous principal axis system is compared with a dynamical definition involving the over-all angular momentum. States of general internal motion are associated by definition with zero linear momentum and zero over-all angular momentum.
Keywords
Classical mechanicsAngular momentumHamiltonian (control theory)PhysicsAngular momentum operatorTotal angular momentum quantum numberKinetic energyAngular momentum couplingQuantumRotational transitionRotation around a fixed axisAngular momentum of lightCanonical coordinatesHamiltonian systemQuantum mechanicsMathematics
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Publication Info
- Year
- 1968
- Type
- article
- Volume
- 49
- Issue
- 4
- Pages
- 1510-1520
- Citations
- 244
- Access
- Closed
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Cite This
Rolf Meyer,
Hs. H. Günthard
(1968).
General Internal Motion of Molecules, Classical and Quantum-Mechanical Hamiltonian.
The Journal of Chemical Physics
, 49
(4)
, 1510-1520.
https://doi.org/10.1063/1.1670272
Identifiers
- DOI
- 10.1063/1.1670272