SIMPRE: A software package to calculate crystal field parameters, energy levels, and magnetic properties on mononuclear lanthanoid complexes based on charge distributions.
José J. BaldovíSalvador Cardona-SerraJuan M. Clemente-JuanEugenio CoronadoAlejandro Gaita-AriñoAndrew V. PaliiPublished in: J. Comput. Chem. (2013)
Keyphrases
- software package
- open source
- user friendly
- software packages
- statistical distribution
- weibull distribution
- normal distribution
- maximum likelihood
- statistical distributions
- parameter estimation
- sensitivity analysis
- command line
- structural properties
- cross platform
- probability distribution
- symbolic regression
- kullback leibler divergence
- parameter space
- energy consumption
- probability density function
- operating system
- knowledge base
- permalloy films