Derives closed-form matrix elements for explicitly correlated Gaussian basis in periodic systems and validates on infinite 1D hydrogen chain.
(49) gives erfc(0) /R = 1/R, recovering the full [0, ∞) integral above
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Explicitly Correlated Gaussian Basis Approach to Periodic Systems
Derives closed-form matrix elements for explicitly correlated Gaussian basis in periodic systems and validates on infinite 1D hydrogen chain.