Calculated linear and nonlinear optical absorption spectra of phosphine-ligated gold clusters
Abstract
Absorption spectra of phosphine-ligated clusters of eight and nine gold atoms were evaluated using TDDFT and GW-BSE. Calculations predict that the ligand choice can be used to tune the two-photon absorption (TPA).
Document Details
- Document Type
- Pub Defense Publication
- Publication Date
- Jan 01, 2022
- Source ID
- 10.1039/d2cp01232d
Entities
People
- Kiet A Nguyen
- Paul N Day
- Ruth Pachter
Organizations
- Air Force Office of Scientific Research
- Air Force Research Laboratory