2021
DOI: 10.21203/rs.3.rs-297859/v1
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A paradigm system for strong correlation and charge transfer competition

Abstract: In chemistry and condensed matter physics the solution of simple paradigm systems, such as the hydrogen atom and the uniform electron gas, plays a critical role in understanding electron behaviors and developing electronic structure methods. The H2 molecule is a paradigm system for strong correlation with a spin-singlet ground state that localizes the two electrons onto opposite protons at dissociation. We extend H2 to a new paradigm system by using fractional nuclear charges to break the left-right nuclear sy… Show more

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