Bulletin of the American Physical Society
2023 APS March Meeting
Volume 68, Number 3
Las Vegas, Nevada (March 5-10)
Virtual (March 20-22); Time Zone: Pacific Time
Session D58: Tensor Networks and Hybrid Quantum Algorithms
3:00 PM–5:48 PM,
Monday, March 6, 2023
Room: Room 302
Sponsoring
Unit:
DQI
Chair: Sarah Sheldon, IBM Quantum
Abstract: D58.00013 : Quantum chemistry simulation of ground- and excited-state properties of the sulfonium cation on a superconducting quantum processor
5:24 PM–5:36 PM
Presenter:
Mario Motta
(IBM Quantum, IBM Research Almaden)
Authors:
Mario Motta
(IBM Quantum, IBM Research Almaden)
Gavin O Jones
(IBM Quantum, IBM Research Almaden)
Julia E Rice
(IBM Almaden Research Center)
Tanvi P Gujarati
(IBM Corporation)
Rei Sakuma
(JSR Corporation)
Ieva Liepuoniute
(IBM Quantum, IBM Research Almaden)
Jeannette M Garcia
(IBM Quantum, IBM Research Almaden)
Yu-ya Ohnishi
(JSR Corporation)
To this end, we combine a qubit reduction technique with variational and diagonalization quantum algorithms and use a sequence of error-mitigation techniques. We compute dipole structure factors and partial atomic charges along ground- and excited-state potential energy curves, revealing the occurrence of homo- and heterolytic fragmentation.
[1] M. Motta et al, https://arxiv.org/abs/2208.02414 (2022)
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