Quantum Equation of Motion with Orbital Optimization for Computing Molecular Properties in Near-Term Quantum Computing-Reference-Cited by-同舟云学术

Quantum Equation of Motion with Orbital Optimization for Computing Molecular Properties in Near-Term Quantum Computing

Published:2024-05-03 Issue:9 Volume:20 Page:3613-3625
ISSN:1549-9618
Container-title:Journal of Chemical Theory and Computation
language:en
Short-container-title:J. Chem. Theory Comput.

Author:

Jensen Phillip W. K.¹^ORCID,Kjellgren Erik Rosendahl²^ORCID,Reinholdt Peter²^ORCID,Ziems Karl Michael³^ORCID,Coriani Sonia³^ORCID,Kongsted Jacob²^ORCID,Sauer Stephan P. A.¹^ORCID

Affiliation:

1. Department of Chemistry, University of Copenhagen, DK-2100 Copenhagen, Denmark

2. Department of Physics, Chemistry and Pharmacy, University of Southern Denmark, Campusvej 55, DK-5230 Odense, Denmark

3. Department of Chemistry, Technical University of Denmark, Kemitorvet Building 207, DK-2800 Kongens Lyngby, Denmark

Funder

Novo Nordisk Fonden

Publisher

American Chemical Society (ACS)

Link

https://pubs.acs.org/doi/pdf/10.1021/acs.jctc.4c00069

Reference105 articles.

1. Even More Efficient Quantum Computations of Chemistry Through Tensor Hypercontraction

2. Fault-Tolerant Quantum Simulations of Chemistry in First Quantization

3. Reliably assessing the electronic structure of cytochrome P450 on today’s classical computers and tomorrow’s quantum computers

4. Toward Quantum Computing for High-Energy Excited States in Molecular Systems: Quantum Phase Estimations of Core-Level States

5. Quantum computation of eigenvalues within target intervals

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