Quantum chemistry simulation of ground- and excited-state properties of the sulfonium cation on a superconducting quantum processor-Reference-Cited by-同舟云学术

Quantum chemistry simulation of ground- and excited-state properties of the sulfonium cation on a superconducting quantum processor

Published:2023 Issue:11 Volume:14 Page:2915-2927
ISSN:2041-6520
Container-title:Chemical Science
language:en
Short-container-title:Chem. Sci.

Author:

Motta Mario¹^ORCID,Jones Gavin O.¹^ORCID,Rice Julia E.¹,Gujarati Tanvi P.¹,Sakuma Rei²,Liepuoniute Ieva¹,Garcia Jeannette M.¹,Ohnishi Yu-ya²^ORCID

Affiliation:

1. IBM Quantum, IBM Research – Almaden, 650 Harry Road, San Jose 95120, CA, USA

2. Materials Informatics Initiative, RD Technology & Digital Transformation Center, JSR Corporation, 3-103-9, Tonomachi, Kawasaki-ku, Kawasaki, 210-0821, Kanagawa, Japan

Abstract

We study the photodissociation of the sulfonium cation using quantum computing algorithms on IBM's hardware. We combine and extend methodologies to compute molecular excited states, photodissociation spectra, and molecular dissociation pathways.

Publisher

Royal Society of Chemistry (RSC)

Subject

General Chemistry

Link

http://pubs.rsc.org/en/content/articlepdf/2023/SC/D2SC06019A

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