MRChem Multiresolution Analysis Code for Molecular Electronic Structure Calculations: Performance and Scaling Properties.

Autor: Wind, Peter, Bjørgve, Magnar, Brakestad, Anders, Gerez S., Gabriel A., Jensen, Stig Rune, Eikås, Roberto Di Remigio, Frediani, Luca
Zdroj: Journal of Chemical Theory & Computation; 1/10/2023, Vol. 19 Issue 1, p137-146, 10p
Databáze: Supplemental Index