The merits of the frozen-density embedding scheme to model solvatochromic shifts
Published inThe Journal of chemical physics, vol. 122, no. 9, 94115
Publication date2005
Abstract
Keywords
- Density functional theory
- Excited states
- Molecular electronic states
- Solvent effects
- Charge exchange
- Electron correlations
- Organic compounds
- Molecular dynamics method
Research group
Citation (ISO format)
NEUGEBAUER, Johannes et al. The merits of the frozen-density embedding scheme to model solvatochromic shifts. In: The Journal of chemical physics, 2005, vol. 122, n° 9, p. 94115. doi: 10.1063/1.1858411
Main files (1)
Article (Published version)
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Identifiers
- PID : unige:3279
- DOI : 10.1063/1.1858411
ISSN of the journal0021-9606