Chemical Compounds
Kinetic Energy
77%
Density Functional Theory
41%
Semiconductor
33%
Bulk Modulus
30%
Diatomic Molecule
30%
Decomposition
28%
Nonconductor
25%
Molecule
23%
Covalent Bond
22%
Interfacial Energy
21%
Energy
21%
Simulation
14%
Volume
12%
Engineering & Materials Science
Density functional theory
100%
Kinetic energy
70%
Molecules
65%
Semiconductor materials
29%
Covalent bonds
27%
Decomposition
24%
Convergence of numerical methods
20%
Interfacial energy
20%
Elastic moduli
14%
Physics & Astronomy
density functional theory
51%
orbitals
47%
molecules
35%
flux density
35%
kinetic energy
35%
decomposition
16%
numerical stability
14%
covalent bonds
13%
diatomic molecules
12%
retaining
12%
bulk modulus
11%
surface energy
10%
insulators
8%
formalism
8%