Multiconfiguration Pair-Density Functional Theory for Chromium(IV) Molecular Qubits-Reference-Cited by-同舟云学术

Multiconfiguration Pair-Density Functional Theory for Chromium(IV) Molecular Qubits

Published:2022-09-01 Issue:9 Volume:2 Page:2029-2037
ISSN:2691-3704
Container-title:JACS Au
language:en
Short-container-title:JACS Au

Author:

Sauza-de la Vega Arturo¹^ORCID,Pandharkar Riddhish¹²^ORCID,Stroscio Gautam D.¹^ORCID,Sarkar Arup¹^ORCID,Truhlar Donald G.³^ORCID,Gagliardi Laura¹²^ORCID

Affiliation:

1. Department of Chemistry, Pritzker School of Molecular Engineering, James Franck Institute, Chicago Center for Theoretical Chemistry, University of Chicago, Chicago, Illinois 60637, United States

2. Argonne National Laboratory, Lemont, Illinois 60439, United States

3. Department of Chemistry, Chemical Theory Center, and Minnesota Supercomputing Institute, University of Minnesota, Minneapolis, Minnesota 55455−0431, United States

Publisher

American Chemical Society (ACS)

Subject

General Medicine

Link

https://pubs.acs.org/doi/pdf/10.1021/jacsau.2c00306

Reference91 articles.

1. A reaction-coordinate perspective of magnetic relaxation

2. From quantum optics to quantum technologies

3. Quantum computing: A taxonomy, systematic review and future directions

4. Quantum sensing

5. Quantum information processing with superconducting circuits: a review

Cited by 8 articles. 订阅此论文施引文献订阅此论文施引文献，注册后可以免费订阅5篇论文的施引文献，订阅后可以查看论文全部施引文献

1. Quantum-centric supercomputing for materials science: A perspective on challenges and future directions;Future Generation Computer Systems;2024-11

2. Multiconfiguration Pair-Density Functional Theory for Vertical Excitation Energies in Actinide Molecules;The Journal of Physical Chemistry A;2023-10-27

3. Understanding Antiferromagnetic and Ligand Field Effects on Spin Crossover in a Triple-Decker Dimeric Cr(II) Complex;Journal of the American Chemical Society;2023-10-03

4. An Accurate Density Coherence Functional for Hybrid Multiconfiguration Density Coherence Functional Theory;Journal of Chemical Theory and Computation;2023-09-14

5. T₁ Anisotropy Elucidates Spin Relaxation Mechanisms in an S = 1 Cr(IV) Optically Addressable Molecular Qubit;The Journal of Physical Chemistry Letters;2023-08-21