QMC calculations indicate correlation energy in double-layer FeSe is mainly from atomic fragments, with bonding playing a minor role that decreases further under tensile strain and increased interlayer spacing.
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Quantum Monte Carlo description of correlated electrons in two-dimensional FeSe
QMC calculations indicate correlation energy in double-layer FeSe is mainly from atomic fragments, with bonding playing a minor role that decreases further under tensile strain and increased interlayer spacing.