Concepedia
Joule · 2024 · 22 citations · 44 references
44
Efficient iterative schemes for<i>ab initio</i>total-energy calculations using a plane-wave basis set
Georg Kresse, J. Furthmüller · Physical review. B, Condensed matter · 1996 · 116.1K citations
Numerical Analysis, Engineering, Computational Chemistry +17
From ultrasoft pseudopotentials to the projector augmented-wave method
Georg Kresse, Daniel P. Joubert · Physical review. B, Condensed matter · 1999 · 80.7K citations
Optical Materials, Engineering, Acoustic Metamaterial +18
Semiempirical GGA‐type density functional constructed with a long‐range dispersion correction
Stefan Grimme · Journal of Computational Chemistry · 2006 · 29.9K citations
Materials Science, New Density Functional, Chemical Engineering +14
Efficient planar heterojunction perovskite solar cells by vapour deposition
Mingzhen Liu, Michael B. Johnston, Henry J. Snaith · Nature · 2013 · 7.8K citations
Electrical Engineering, Engineering, Perovskite Solar Cell +6
Generalized gradient approximation for the exchange-correlation hole of a many-electron system
John P. Perdew, Kieron Burke, Yue Wang · Physical review. B, Condensed matter · 1996 · 6.6K citations
Engineering, Many-body Quantum Physic, Magnetic Resonance +21