Keywords
Ab initioHamiltonian (control theory)Basis setPlane waveStatistical physicsAb initio quantum chemistry methodsDensity functional theoryElectronic structurePhononDegrees of freedom (physics and chemistry)TetrahedronQuantum mechanicsPhysicsChemistryMathematicsMoleculeMathematical optimization
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Publication Info
- Year
- 1996
- Type
- article
- Volume
- 6
- Issue
- 1
- Pages
- 15-50
- Citations
- 70193
- Access
- Closed
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Cite This
Georg Kresse,
J. Furthmüller
(1996).
Efficiency of ab-initio total energy calculations for metals and semiconductors using a plane-wave basis set.
Computational Materials Science
, 6
(1)
, 15-50.
https://doi.org/10.1016/0927-0256(96)00008-0
Identifiers
- DOI
- 10.1016/0927-0256(96)00008-0