An Iterative Dual-Channel Neural Quantum State Algorithm for Selected Configuration Interaction (opens in new tab)

Accurately solving the electronic Schr\"{o}dinger equation for strongly correlated systems remains a central challenge in quantum chemistry, where the exponential growth of configuration space limits the applicability of exact methods. Selected Configuration Interaction (SCI) algorithms address this challenge by adaptively constructing compact determinantal expansions, yet their efficiency depends critically on the quality of the sampling stra...