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Topic: Auxiliary Density Functional Theory

Auxiliary Density Functional Theory

Analytical GGA exchange-correlation kernel calculation in auxiliary density functional theory
B. Zuñiga-Gutierrez, A.M. Köster
Mol. Phys. 114, 1026-1035 (2016)
Robust and efficient variational fitting of Fock exchange
D. Mejia-Rodriguez, A.M. Köster
J. Chem. Phys. 141, 124114 (2014)
deMon2k
G. Geudtner, P. Calaminici, J. Carmona-Espindola, J.M. del Campo, V.D. Dominguez-Soria, R. Flores-Moreno, G.U. Gamboa,
A. Goursot, A.M. Köster, J.U. Reveles, T. Mineva, J.M. Vasquez-Perez, A. Vela, B. Zuñiga-Gutierrez, D.R. Salahub
WIREs: Comput. Mol. Sci. 2, 548-555 (2012)
A MinMax self-consistent-field approach for auxiliary density functional theory
A.M. Köster, J.M. del Campo, F. Janetzko, B. Zuñiga-Gutierrez
J. Chem. Phys. 130, 114106 (2009)
Auxiliary density perturbation theory
R. Flores-Moreno R., A.M. Köster
J. Chem. Phys. 128, 134105 (2008)
Calculation of exchange-correlation potentials with auxiliary function densities
A.M. Köster, J.U. Reveles, J.M. del Campo
J. Chem. Phys. 121, 3417-3424 (2004)

Last Update: 2nd May 2018