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physics.atom-ph2026
A CSFG-based neural network basis-selection method for large-scale RCI calculations within GRASPG
Chaofan Shi, Shaowei Tian, Ran Si +3
We present a neural network (NN) basis-selection method for large-scale relativistic configuration interaction (RCI) calculations in GRASPG. The method employs configuration state…
physics.atom-ph2026
Non-orthogonal extension of Graspg - dynamic electron correlation for large and compact active spaces
Sijie Wu, Ran Si, Chongyang Chen +3
Accurate relativistic multiconfiguration calculations of correlation-sensitive atomic properties are often limited by the rapid growth of configuration state function expansions wh…