A quantum algorithm for rovibrational Hamiltonian simulation on fault-tolerant quantum computers using hybrid DVR and Walsh-Hadamard QROM, claiming exponential resource savings over prior quantum and classical methods.
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Derives irreducible transformation matrices for all operations of G36 and G36(EM) for ethane and implements generator-based symmetry adaptation in TROVE for variational nuclear-motion calculations.
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Simulating high-accuracy nuclear motion Hamiltonians using discrete variable representation and Walsh-Hadamard QROM on fault-tolerant quantum computers
A quantum algorithm for rovibrational Hamiltonian simulation on fault-tolerant quantum computers using hybrid DVR and Walsh-Hadamard QROM, claiming exponential resource savings over prior quantum and classical methods.
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Transformation Properties under the Operations of the Molecular Symmetry Groups $G_{36}$ and $G_{36}\text{(EM)}$ of Ethane $\text{H}_3\text{CCH}_3$
Derives irreducible transformation matrices for all operations of G36 and G36(EM) for ethane and implements generator-based symmetry adaptation in TROVE for variational nuclear-motion calculations.