Incremental Treatments of the Full Configuration Interaction Problem [article]

Janus J. Eriksen, Jürgen Gauss
2020 arXiv   pre-print
The recent many-body expanded full configuration interaction (MBE-FCI) method is reviewed by critically assessing its advantages and drawbacks in the context of contemporary near-exact electronic structure theory. Besides providing a succinct summary of the history of MBE-FCI to date within a generalized and unified theoretical setting, its finer algorithmic details are discussed alongside our optimized computational implementation of the theory. A selected few of the most recent applications
more » ... MBE-FCI are revisited, before we close by outlining its future research directions as well as its place among modern near-exact wave function-based methods.
arXiv:2012.07371v1 fatcat:yychhqdjmbht7fphqx5ieumwiy