Orbital formulation for electronic-structure calculations with linear system-size scaling

Keyphrases

• Size Scaling 100%
• Electronic Structure Calculations 100%
• Linear Systems 100%
• System Sizing 100%
• Numerical Examples 50%
• Total Energy 50%
• Ground State Energy 50%
• Kohn-Sham 50%
• Localized Orbitals 50%
• Energy Dynamics 50%
• Computational Work 50%
• Energy Functional 50%
• Molecular Dynamics Calculations 50%
• Absolute Minimum 50%

Chemistry

• Electronic State 100%
• Ground State 50%
• Molecular Dynamics 50%

Material Science

• Electronic Structure Calculation 100%