Static Polarizabilities at the Basis Set Limit: A Benchmark of 124 Species

por Brakestad, Anders, Jensen, Stig Rune, Wind, Peter, D’Alessandro, Marco, Genovese, Luigi, Hopmann, Kathrin Helen, Frediani, Luca
Publicado 2020

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

por Wind, Peter, Bjørgve, Magnar, Brakestad, Anders, Gerez S., Gabriel A., Jensen, Stig Rune, Eikås, Roberto Di Remigio, Frediani, Luca
Publicado 2022