Assessment of TD-DFT- and TD-HF-based approaches for the prediction of exciton coupling parameters, potential energy curves, and electronic characters of electronically excited aggregates.
Wenlan LiuVolker SettelsPhilipp H. P. HarbachAndreas DreuwReinhold F. FinkBernd EngelsPublished in: J. Comput. Chem. (2011)
Keyphrases
- root mean square error
- temporal difference
- prediction model
- high frequency
- neural networks and support vector machines
- neural network
- eligibility traces
- td learning
- linear prediction
- energy minimization
- energy consumption
- frequency domain
- prediction accuracy
- electronic commerce
- parameter estimation
- reinforcement learning
- learning algorithm