Hybrid functionals for large periodic systems in an all-electron, numeric atom-centered basis framework

Title
Hybrid functionals for large periodic systems in an all-electron, numeric atom-centered basis framework
Authors
Keywords
Density-functional theory, Exact exchange, Hartree–Fock approximation, Hybrid functionals, Numeric atomic orbitals, All-electron, Linear scaling
Journal
COMPUTER PHYSICS COMMUNICATIONS
Volume 192, Issue -, Pages 60-69
Publisher
Elsevier BV
Online
2015-03-03
DOI
10.1016/j.cpc.2015.02.021

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