The uniform electron gas is a model Fermi liquid often employed as a reference in density functional theory (DFT), which has been widely studied using stochastic Monte-Carlo type approaches. We present an alternative approach to studying the uniform electron gas in both two and three dimensions by employing the deterministic Adaptive Sampling Configuration Interaction (ASCI) algorithm. This method is found to produce highly accurate numbers over a wide range of correlation strengths (r<sub>s</sub>~0.5-5) at a fairly low computational cost, even relative to stochastic methods. We discuss the potential implications of these results for functional development in DFT, as well as the possibility of using this approach to study periodic, solid-state systems.

Deterministic quantum chemistry of the uniform electron gas: An adaptive sampling configuration interaction (ASCI) approach

256th National Meeting (2018)

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