Efficient calculation of absorption spectra in solution: Approaches for selecting representative solvent configurations and for reducing the number of explicit solvent molecules

Physics & Astronomy

• absorption spectra 100%
• dyes 93%
• costs 81%
• configurations 72%
• molecules 71%
• electronic structure 60%
• solar cells 59%
• chromophores 58%
• betaines 41%
• energy technology 38%
• renewable energy 36%
• fitness 34%
• solar energy 30%
• solvation 29%
• set theory 27%
• field theory (physics) 27%
• charge transfer 23%
• scaling 18%
• electrons 11%
• simulation 10%

Chemical Compounds

• Absorption Spectrum 98%
• Solvent 63%
• Electronic State 59%
• Statistical Ensemble 53%
• Molecule 46%
• Environment 45%
• Chromophore 44%
• Charge Transfer 37%
• Quantum Mechanical Method 36%
• Solvatochromism 33%
• Solar Energy 29%
• Monte Carlo Method 28%
• Molecular Mechanic 26%
• Heterogeneity 25%
• Solvation 23%
• Force 18%
• Dye 16%
• Electron Particle 14%
• Energy 12%