Incremental treatments of the full configuration interaction problem

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 of 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. This article is categorized under: Electronic Structure Theory > Ab Initio Electronic Structure Methods

Automated summary

The recent many-body expanded full configuration interaction (MBE-FCI) method is critically assessed, with a discussion on its advantages, drawbacks, history, future research directions, and recent applications.