Unconstrained and constrained minimization, localization, and the Grassmann manifold: Theory and application to electronic structure

Physics & Astronomy

• electronic structure 50%
• optimization 44%
• orbitals 18%
• gradients 17%
• atoms 13%
• central processing units 13%
• silicon carbides 13%
• scaling 9%
• matrices 7%

Chemical Compounds

• Orbital 55%
• Electronic State 49%
• Silicon Carbide 37%
• Application 21%

Engineering & Materials Science

• Electronic structure 100%
• Atoms 27%
• Density functional theory 20%
• Silicon carbide 14%