Analytic Atomic Gradients in the Fermi- Löwdin orbital self-interaction correction

Research output: Contribution to journal › Article › peer-review

Cite this

@article{915e6701d778404a9d7fb7470d7df09f,

title = "Analytic Atomic Gradients in the Fermi- L{\"o}wdin orbital self-interaction correction",

author = "Sebastian Schwalbe and Peralta, {Juan Ernesto} and Kai Trepte and Jackson, {Koblar Alan}",

year = "2019",

language = "English",

volume = "40",

pages = "820",

journal = "J. Comp. Chem.",

publisher = "J. Comp. Chem.",

}