The electron density: a fidelity witness for quantum computation-Reference-Cited by-同舟云学术

The electron density: a fidelity witness for quantum computation

Published:2024 Issue: Volume: Page:
ISSN:2041-6520
Container-title:Chemical Science
language:en
Short-container-title:Chem. Sci.

Author:

Skogh Mårten¹²,Dobrautz Werner¹^ORCID,Lolur Phalgun¹,Warren Christopher³,Biznárová Janka³,Osman Amr³,Tancredi Giovanna³,Bylander Jonas³^ORCID,Rahm Martin¹^ORCID

Affiliation:

1. Department of Chemistry and Chemical Engineering, Chalmers University of Technology, Gothenburg, Sweden

2. Data Science & Modelling, Pharmaceutical Science, R&D, AstraZeneca, Gothenburg, Sweden

3. Department of Microtechnology and Nanoscience MC2, Chalmers University of Technology, Gothenburg, Sweden

Abstract

We propose that the electron density, obtained through experimental or computational means, can serve as a robust benchmark for validating the accuracy of quantum computation of chemistry.

Funder

Wallenberg Center for Quantum Technology, Chalmers University of Technology

H2020 Future and Emerging Technologies

HORIZON EUROPE Marie Sklodowska-Curie Actions

HORIZON EUROPE Digital, Industry and Space

Vetenskapsrådet

Publisher

Royal Society of Chemistry (RSC)

Subject

General Chemistry

Link

http://pubs.rsc.org/en/content/articlepdf/2024/SC/D3SC05269A

Reference64 articles.

1. Inhomogeneous Electron Gas

2. F.Jensen , Introduction to computational chemistry , John Wiley & Sons , Chichester, West Sussex , 3rd edn, 2017

3. Zur Rolle der kinetischen Elektronenenergie f�r die zwischenatomaren Kr�fte

4. Forces in Molecules

5. Testing aspherical atom refinements on small-molecule data sets

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