Strongly Constrained and Appropriately Normed Semilocal Density Functional.

Keywords

Lattice constant, Lattice (music), Physics, Density functional theory, Ground state

References

• Atomic correlation energies and the generalized gradient approximationKieron Burke, Antonio C. Cancio, Tim Gould — 2014
• Density Functionals for Non-relativistic Coulomb Systems in the New CenturyJ. Perdew, S. Kurth — 2003
• Atomic Data and Nuclear Data TablesP. Bogdanovich, R. Kisielius — 2013
• Gaussian 03, Revision E.01.M. Frisch, G. Trucks, H. Schlegel — 2007
• Density-functional theory of atoms and moleculesR. Parr — 1989

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• Subtlety of TiO2 phase stability: Reliability of the density functional theory predictions and persistence of the self-interaction error.Yves-Félix Montagne — 2019
• Quantum Vibronic Effects on the Electronic Properties of Molecular CrystalsTemmler Pharma Acetocaustin — 2023
• Density Functional Model for Nondynamic and Strong Correlation.Jing Kong, Emil Proynov — 2014
• Communication: A new class of non-empirical explicit density functionals on the third rung of Jacob's ladder.Piotr de Silva, Clémence Corminbœuf — 2015
• Why density functionals should not be judged primarily by atomization energiesJohn P. Perdew, Jianwei Sun, Adrienn Ruzsinszky — 2016
• Strain and Stress: Derivation, Implementation, and Application to Organic CrystalsFranz Knuth — 2015
• The two pillars: density and spin-density functional theoriesAlejandro J. Garza, Gustavo E. Scuseria, Adrienn Ruzsinszky — 2016
• Combinations of coupled cluster, density functionals, and the random phase approximation for describing static and dynamic correlation, and van der Waals interactionsAlejandro J. Garza, Ireneusz W. Bulik, Ana G. Sousa Alencar — 2015
• Actinide chemistry using singlet-paired coupled cluster and its combinations with density functionals.Alejandro J. Garza, Ana G. Sousa Alencar, Gustavo E. Scuseria — 2015
• Challenging the Lieb–Oxford bound in a systematic wayMichael Seidl, Stefan Vuckovic, Paola Gori‐Giorgi — 2015
• SCAN-based hybrid and double-hybrid density functionals from models without fitted parameters.Kerwin Hui, Jeng‐Da Chai — 2015
• Exchange–Correlation Functionals via Local Interpolation along the Adiabatic ConnectionStefan Vuckovic, Tom J. P. Irons, Andreas Savin — 2016
• Nanoparticle shape, thermodynamics and kineticsLaurence D. Marks, L Peng — 2016
• Semilocal density functionals and constraint satisfactionJohn P. Perdew, Jianwei Sun, Richard M. Martin — 2016
• Density functional theory for d‐ and f‐electron materials and compoundsAnn E. Mattsson, J. M. Wills — 2016
• Rungs 1 to 4 of DFT Jacob's ladder: Extensive test on the lattice constant, bulk modulus, and cohesive energy of solids.Fabien Tran, Julia Stelzl, Peter Blaha — 2016
• Communication: Near-locality of exchange and correlation density functionals for 1- and 2-electron systems.Jianwei Sun, John P. Perdew, Zenghui Yang — 2016
• Kinetic and Exchange Energy Densities near the NucleusLucian A. Constantin, Eduardo Fabiano, Fabio Della Sala — 2016
• Dispersion-Corrected Mean-Field Electronic Structure Methods.Stefan Grimme, Andreas Hansen, Jan Gerit Brandenburg — 2016

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