Deviations from piecewise linearity in the solid-state limit with approximate density functionals

Keyphrases

• Solid State 100%
• Electronic Structure 100%
• Finite Systems 100%
• Density Functional 100%
• Piecewise Linearity 100%
• State Limit 100%
• Density Functional Theory 50%
• Computational Study 50%
• Eigenstates 50%
• Charge Transfer 50%
• New Criteria 50%
• Functional Assessment 50%
• Size Dependence 50%
• Semiconductor Nanocrystals 50%
• Fundamental Gap 50%
• Alkane Chain 50%
• Predictive Ability 50%
• Linear Segment 50%
• Self-interaction 50%
• Periodic Boundary Conditions 50%
• Functional Construction 50%
• Ground State Energy 50%
• Ionization Energy 50%
• Zero Curvature 50%
• Energy Fundamentals 50%
• Reference Cell 50%
• Long-alkanes 50%
• Periodic Case 50%
• Background Charge 50%
• Deviation from Linearity 50%
• CRISTAL 50%

Mathematics

• Approximates 100%
• Density Functional 100%
• Finite System 100%
• Energy Levels 100%
• Electronic State 100%
• Integer 50%
• Functionals 50%
• State Energy 50%
• Eigenstate 50%
• Predictive Capability 50%
• Periodic Case 50%
• Boundary Condition 50%
• Ground State 50%