Monte carlo configuration interaction applied to multipole moments, ionisation energies and electron affinities.
Jeremy P. CoeDaniel J. TaylorMartin J. PatersonPublished in: J. Comput. Chem. (2013)
Keyphrases
- monte carlo
- importance sampling
- markov chain
- monte carlo simulation
- monte carlo methods
- particle filter
- probabilistic model
- higher order
- pairwise
- point processes
- simulation study
- adaptive sampling
- game tree
- game tree search
- markovian decision
- monte carlo method
- variance reduction
- temporal difference
- model selection
- graph cuts