The polarized-signal density matrix: A practical way to recover molecular frame information from isotropic samples
We present a novel approach to model ultrafast time-dependent nonlinear optical polarization sensitive signals emitted from randomly oriented molecules. By projecting the laboratory-frame analyzer polarization axis into the molecular-frame and linking that axis with the density matrix through a tensor product, we demonstrate an approach to find a specific molecular orientation that yields a good approximation to simulated four-wave mixing signals produced by the same model but with averaging over molecular orientation.
Authors
- Th. Weber (ORCID: https://orcid.org/0000-0003-3756-2704)
- Niranjan Shivaram (ORCID: https://orcid.org/0000-0002-9550-3588)
- Liang Z. Tan (ORCID: https://orcid.org/0000-0003-4724-6369)
- Richard Thurston (ORCID: https://orcid.org/0000-0003-0570-2223)
- Daniel S. Slaughter (ORCID: https://orcid.org/0000-0002-4621-4552)
Institutions
- Lawrence Berkeley National Laboratory (US)
- Purdue University West Lafayette (US)
Publication Details
- Journal
- The Journal of Chemical Physics
- Published
- 2025-07-14
- DOI
- https://doi.org/10.1063/5.0267487
- Primary Topic
- Spectroscopy and Quantum Chemical Studies
- Type
- article
- Field-Weighted Citation Impact
- 0.00
Funders
- Basic Energy Sciences
- Chemical Sciences, Geosciences, and Biosciences Division