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

Greta JacobsonJuan M Marmolejo-TejadaMartín A Mosquera

Published in: Chemphyschem : a European journal of chemical physics and physical chemistry (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.

Keyphrases

deep learning
molecular dynamics simulations
molecular dynamics
smoking cessation