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.
Sunaga , author G
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Tree tensor network states combined with DMRG allow accurate full-dimensional computations of thousands of vibrational eigenstates for molecules ranging from small benchmarks to 33-dimensional protonated water clusters.
citing papers explorer
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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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Accurate, full-dimensional computations of thousands of complex vibrational eigenstates with tree tensor network states
Tree tensor network states combined with DMRG allow accurate full-dimensional computations of thousands of vibrational eigenstates for molecules ranging from small benchmarks to 33-dimensional protonated water clusters.