A spin-polarized energy density method derived from spin-density functional theory decomposes total energies into atomic contributions and is implemented in VASP for applications to paramagnetic Fe and Ni-doped GaN.
Bader,Atoms in Molecules: A Quantum Theory(Oxford University Press, 1990)
1 Pith paper cite this work. Polarity classification is still indexing.
1
Pith paper citing it
fields
cond-mat.mtrl-sci 1years
2026 1verdicts
UNVERDICTED 1representative citing papers
citing papers explorer
-
Spin-polarized Energy Density Method from Spin-Density Functional Theory
A spin-polarized energy density method derived from spin-density functional theory decomposes total energies into atomic contributions and is implemented in VASP for applications to paramagnetic Fe and Ni-doped GaN.