Keyphrases
Covalently Bonded
100%
Orbital-free Density Functional Theory
100%
Kinetic Energy Density Functional
100%
Semiconductors
50%
Properties of Molecules
25%
Bulk Modulus
25%
Computationally Efficient
25%
Insulator
25%
Si(111)
25%
Local Density
25%
Numerical Accuracy
25%
Diatomic Molecules
25%
Scaling Function
25%
Covalent Bond
25%
Density Dependence
25%
Kohn-Sham Density Functional Theory
25%
Surface Energy
25%
Phase Ordering
25%
Bulk Phase
25%
Computational Speed
25%
Numerical Stability
25%
Semilocal
25%
Functional Scheme
25%
Ordering Energy
25%
Equilibrium Volume
25%
Decomposition Scheme
25%
Covalent Materials
25%
Material Science
Density
100%
Energy Density
40%
Surface Energy
10%
Elastic Moduli
10%
Covalent Bond
10%