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quant-ph2023
Hybrid algorithm for the time-dependent Hartree-Fock method using the Yang-Baxter equation on quantum computers
Sahil Gulania, Stephen K. Gray, Yuri Alexeev +2
The time-dependent Hartree-Fock (TDHF) method is an approach to simulate the mean field dynamics of electrons within the assumption that the electrons move independently in their s…
quant-ph2020
Towards quantum computing for high-energy excited states in molecular systems: quantum phase estimations of core-level states
Nicholas P. Bauman, Hongbin Liu, Eric J. Bylaska +9
This paper explores the utility of the quantum phase estimation (QPE) in calculating high-energy excited states characterized by promotions of electrons occupying inner energy shel…