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Department of Physics and Astronomy, Tufts University, Medford, MA 02155, USA, Department of Computer Science, University of Toronto, Toronto, ON M5S 3H6, Canada, Department of Physics, University of Toronto, Toronto, ON M5S 1A7, Canada, QMatter, Inc., Office 109, 254 Chapman Rd, Suite 101-B, Newark, DE 19702, USA, Computational Science Initiative, Brookhaven National Laboratory, Upton, NY 11973, USA
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The correlation in electronic structure Hamiltonians can be directly quantified by the magic of quantum states, revealing a surprising linear relationship that holds across a wide range of molecular configurations.