Kavli Affiliate: Kristin A. Persson | First 5 Authors: Jimmy-Xuan Shen, Jason M. Munro, Matthew K. Horton, Patrick Huck, Shyam Dwaraknath | Summary: In addition to being the core quantity in density functional theory, the charge density can be used in many tertiary analyses in materials sciences from bonding to assigning charge to specific atoms. […]
Continue.. A representation-independent electronic charge density database for crystalline materials