Calculation of Core-Excited and Core-Ionized States Using Variational Quantum Deflation Method and Applications to Photocatalyst Modeling
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DOI: 10.1021/acsomega.2c01053
Abstract: The possibility of performing quantum chemical calculations using quantum computers has attracted much interest. In this regard, variational quantum deflation (VQD) is a quantum-classical hybrid algorithm for the calculation of excited states with noisy intermediate-scale… read more here.
Keywords: core ionized; method; calculation; variational quantum ... See more keywords