Excitation Energies of Embedded Chromophores from Frozen-Density Embedding Theory Using State-Specific Electron Densities of the Environment
ContributorsFu, Mingxue ; Wesolowski, Tomasz Adam
Published inThe journal of physical chemistry. A, vol. 127, no. 2, p. 535-545
Publication date2023-01-04
First online date2023-01-04
Abstract
Keywords
- Chromophores
- Electrical energy
- Embedding
- Energy
- Wave function
Affiliation entities
Citation (ISO format)
FU, Mingxue, WESOLOWSKI, Tomasz Adam. Excitation Energies of Embedded Chromophores from Frozen-Density Embedding Theory Using State-Specific Electron Densities of the Environment. In: The journal of physical chemistry. A, 2023, vol. 127, n° 2, p. 535–545. doi: 10.1021/acs.jpca.2c07747
Main files (1)
Article (Published version)
Identifiers
- PID : unige:180117
- DOI : 10.1021/acs.jpca.2c07747
- PMID : 36599107
Commercial URLhttps://pubs.acs.org/doi/10.1021/acs.jpca.2c07747
ISSN of the journal1089-5639