Comparison of Effective Exchange Integrals of H-H and H-He-H Chains vs. Single Molecules: A Theoretical Study
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DOI: 10.1246/cl.190806
Abstract: The effect of periodic structure on the effective exchange integral (Jab) was investigated using density functional theory calculations with plane-wave basis and approximate spin projection scheme ... read more here.
Keywords: effective exchange; comparison effective; exchange; chains single ... See more keywords