HoyLab-Rowan/RUQT

Fortran code for performing Landauer NEGF calculations using advanced electronic structure methods particularly parametric 2-RDM (NEGF-RDM) and multi-configuration pair density functional theory (NEGF-MCPDFT).

语言：Fortran · GitHub 星标：9 · Fork：3

话题：charge-transport · electron-correlation · molecular-junction · negf · quantum-mechanics

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