Modeling Optical Spectra of Large Organic Systems Using Real-Time Propagation of Semiempirical Effective Hamiltonians

Keyphrases

• Organic System 100%
• Optical Spectra 100%
• Large Systems 100%
• Effective Hamiltonian 100%
• Real-time Propagation 100%
• Gas Phase 50%
• Methanol 50%
• Medium Size 50%
• Electronic Excitation 50%
• Ubiquitin 50%
• Valence 50%
• UV-Vis Spectra 50%
• Hartree-Fock 50%
• Chromophore 50%
• Experimental Spectra 50%
• Solvent Water 50%
• Explicit Solvent 50%
• Electron Dynamics 50%
• Betanin 50%
• Semi-empirical Methods 50%
• Coronene 50%
• NWChem 50%
• S-Hamiltonian 50%
• Real-time TDDFT 50%

Chemistry

• ZINDO Calculation 100%
• UV/VIS Spectroscopy 33%
• Methanol 33%
• Electronic Excitation 33%
• Coronene 33%
• Betanin 33%
• Chromophore 33%
• Ubiquitins 33%

Physics

• Chromophore 100%
• Vapor Phase 100%