Cluster Amplitudes and Their Interplay with Self-Consistency in Density Functional Methods.

Chemphyschem

Department of Chemistry and Biochemistry, Montana State University, Bozeman, Montana, 59717, USA.

Published: March 2023

The front cover artwork is provided by the Mosquera group at Montana State University, Bozeman. The image shows theoretical elements involved in the density-functional calculations that are free of spurious fractional charges. Read the full text of the Research Article at 10.1002/cphc.202200592.

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Source
http://dx.doi.org/10.1002/cphc.202300081DOI Listing

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