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The basics of quantum computing for chemists

Published:2022-08-06 Issue:23 Volume:122 Page:
ISSN:0020-7608
Container-title:International Journal of Quantum Chemistry
language:en
Short-container-title:Int J of Quantum Chemistry

Author:

Claudino Daniel¹²³^ORCID

Affiliation:

1. Quantum Computing Institute Oak Ridge National Laboratory Oak Ridge Tennessee USA

2. Computational Sciences and Engineering Division Oak Ridge National Laboratory Oak Ridge Tennessee USA

3. Computer Science and Mathematics Division Oak Ridge National Laboratory Oak Ridge Tennessee USA

Funder

U.S. Department of Energy

Publisher

Wiley

Subject

Physical and Theoretical Chemistry,Condensed Matter Physics,Atomic and Molecular Physics, and Optics

Link

https://onlinelibrary.wiley.com/doi/pdf/10.1002/qua.26990

Reference174 articles.

1. What are the Electrons Really Doing in Molecules?;Adams D. L.;Vortex,1960

2. Zur Quantentheorie der Molekeln

3. Many – Body Methods in Chemistry and Physics

4. Molecular integrals Over Gaussian Basis Functions

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1. An Attractive Way to Correct for Missing Singles Excitations in Unitary Coupled Cluster Doubles Theory;The Journal of Physical Chemistry A;2024-08-08

2. Quantum and classical computational synergy for emerging contaminants management: Advanced insights into cytochrome P450 metabolic mechanisms;Critical Reviews in Environmental Science and Technology;2024-07-03

3. Quantum computing and chemistry;Cell Reports Physical Science;2024-07

4. A new “gold standard”: Perturbative triples corrections in unitary coupled cluster theory and prospects for quantum computing;The Journal of Chemical Physics;2024-06-04

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