A diagonalization-free optimization algorithm for solving Kohn-Sham equations of closed-shell molecules.
Martin MrovecJ. A. BergerPublished in: J. Comput. Chem. (2021)
Keyphrases
- optimization algorithm
- multi objective
- optimization method
- nonlinear equations
- differential evolution
- polynomial equations
- particle swarm optimization pso
- algebraic equations
- optimization strategy
- evolutionary multi objective
- artificial bee colony
- particle swarm optimisation
- combinatorial optimization
- linear systems
- hybrid optimization algorithm
- global optima
- neural network
- multiple objectives
- pso algorithm
- evolutionary algorithm