Cholesky Decomposition-Based Implementation of Relativistic Two-Component Coupled-Cluster Methods for Medium-Sized Molecules-Reference-Cited by-同舟云学术

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Cholesky Decomposition-Based Implementation of Relativistic Two-Component Coupled-Cluster Methods for Medium-Sized Molecules

Published:2024-01-10 Issue:2 Volume:20 Page:787-798
ISSN:1549-9618
Container-title:Journal of Chemical Theory and Computation
language:en
Short-container-title:J. Chem. Theory Comput.

Author:

Zhang Chaoqun¹^ORCID,Lipparini Filippo²^ORCID,Stopkowicz Stella³⁴^ORCID,Gauss Jürgen⁵^ORCID,Cheng Lan¹^ORCID

Affiliation:

1. Department of Chemistry, the Johns Hopkins University, Baltimore, Maryland 21218, United States

2. Dipartimento di Chimica e Chimica Industriale, Università di Pisa, Via G. Moruzzi 13, Pisa I-56124, Italy

3. Fachrichtung Chemie, Universität des Saarlandes, Saarbrücken D-66123, Germany

4. Hylleraas Centre for Quantum Molecular Sciences, Department of Chemistry, University of Oslo, P.O. Box 1033, Blindern, Oslo N-0315, Norway

5. Department Chemie, Johannes Gutenberg-Universität Mainz, Duesbergweg 10-14, Mainz D-55128, Germany

Funder

Basic Energy Sciences

Deutsche Forschungsgemeinschaft

Office of Advanced Cyberinfrastructure

Publisher

American Chemical Society (ACS)

Subject

Physical and Theoretical Chemistry,Computer Science Applications

Link

https://pubs.acs.org/doi/pdf/10.1021/acs.jctc.3c01236

Reference150 articles.

1. Lanthanide Complexes in Multifunctional Asymmetric Catalysis

2. Organo-f-element catalysts for efficient and highly selective hydroalkoxylation and hydrothiolation

3. Carbon oxygenate transformations by actinide compounds and catalysts

4. Cisplatin

5. New metal complexes as potential therapeutics

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