article
DFT calculations of solids with LAPW and WIEN2k
Journal of Solid State Chemistry · 2003 · Vol. 176(2) · pp. 319–328
Karlheinz Schwarz✉(TU Wien)
Advanced Chemical Physics StudiesInorganic Chemistry and MaterialsInorganic Fluorides and Related CompoundsWIEN2kDensity functional theoryPeriodic boundary conditionsElectronic structureChemistryPlane waveCrystal structureRelaxation (psychology)Quantum mechanicsComputational chemistry
Funding
- Austrian Science Fund
- Technische Universität Wien
Citations
443
FWCI
2.56
field-weighted impact
References
40
Percentile
89%
vs. same field & year
Citations per year
References
Generalized Gradient Approximation Made Simple
Physical Review Letters · 1996 · 205,888 citations
Full-potential, linearized augmented plane wave programs for crystalline systems
Computer Physics Communications · 1990 · 3,458 citations
Electronic structure calculations of solids using the WIEN2k package for material sciences
Computer Physics Communications · 2002 · 1,944 citations
An alternative way of linearizing the augmented plane-wave method
Solid State Communications · 2000 · 1,006 citations
Full-potential self-consistent linearized-augmented-plane-wave method for calculating the electronic structure of molecules and surfaces:<mml:math xmlns:mml="http://www.w3.org/1998/Math/MathML" display="inline"><mml:mrow><mml:msub><mml:mrow><mml:mi mathvariant="normal">O</mml:mi></mml:mrow><mml:mrow><mml:mn>2</mml:mn></mml:mrow></mml:msub></mml:mrow></mml:math>molecule
Physical review. B, Condensed matter · 1981 · 2,110 citations
Linear methods in band theory
Physical review. B, Solid state · 1975 · 6,496 citations
Self-Consistent Equations Including Exchange and Correlation Effects
Physical Review · 1965 · 62,140 citations
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