Operator-based derivation of symmetric molecular top wavefunctions

The symmetric top wavefunctions are important in the study of rotational transitions of rigid body-rotor molecules. Using an explicit construction of the position-space state (determined from the Euler angles) and the definite angular momentum states (determined from the total angular momentum and the projections in the lab and body-fixed frames), we provide an operator-based derivation of these wavefunctions that just uses abstract states and operators without the need to work in position space. This is a representation-independent way to construct the wavefunction, providing an alternative to more common differential equation approaches. As an example application, we illustrate how they can be used to calculate the linewidth of the pure rotational transitions in the asymmetric top water molecule.

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Publication Details

Journal
American Journal of Physics
Published
2026-07-23
DOI
https://doi.org/10.1119/5.0297905
Primary Topic
Quantum chaos and dynamical systems
Type
article
Field-Weighted Citation Impact
0.00

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article

Operator-based derivation of symmetric molecular top wavefunctions

J. K. Freericks, J. Stocker
American Journal of Physics
Quantum chaos and dynamical systems
article

Operator-based derivation of symmetric molecular top wavefunctions

J. K. Freericks, J. Stocker
article en

Abstract

The symmetric top wavefunctions are important in the study of rotational transitions of rigid body-rotor molecules. Using an explicit construction of the position-space state (determined from the Euler angles) and the definite angular momentum states (determined from the total angular momentum and the projections in the lab and body-fixed frames), we provide an operator-based derivation of these wavefunctions that just uses abstract states and operators without the need to work in position space. This is a representation-independent way to construct the wavefunction, providing an alternative to more common differential equation approaches. As an example application, we illustrate how they can be used to calculate the linewidth of the pure rotational transitions in the asymmetric top water molecule.

American Journal of PhysicsVol. 94(8)
Georgetown University (US)
National Science Foundation, Georgetown University
Openalex Percentile: Top 9%
Quantum chaos and dynamical systems
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