A hybrid quantization scheme enables efficient switching between first- and second-quantization in quantum circuits for molecular systems, claiming up to three orders of magnitude fewer ground-state preparations for 2-RDM measurements.
Grimme, Journal of Computational Chemistry 27, 1787 (2006)
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First-principles calculations identify a C2/m intermediate phase linking achiral Immm and chiral C2 structures in NbOX2, with electric fields shown to lift enantiomer degeneracy for selective handedness control.
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Optimizing Quantum Chemistry Simulations with a Hybrid Quantization Scheme
A hybrid quantization scheme enables efficient switching between first- and second-quantization in quantum circuits for molecular systems, claiming up to three orders of magnitude fewer ground-state preparations for 2-RDM measurements.
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Emergent chirality and enantiomeric selectivity in layered NbOX$_2$ crystals
First-principles calculations identify a C2/m intermediate phase linking achiral Immm and chiral C2 structures in NbOX2, with electric fields shown to lift enantiomer degeneracy for selective handedness control.