Random Phase Approximation for Periodic Systems Employing Direct Coulomb Lattice Summation

A method to compute ground state correlation energies from the random phase approximation (RPA) is presented for molecular and periodic systems on an equal footing. The supermatrix representation of the Hartree kernel in canonical orbitals is translation-symmetry adapted and factorized by the resolu...

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Veröffentlicht in:	Journal of chemical theory and computation 2017-03, Vol.13 (3), p.1159-1175
Hauptverfasser:	Grundei, Martin M. J, Burow, Asbjörn M
Format:	Artikel
Sprache:	eng
Schlagworte:	Approximation Computational efficiency Coulomb friction Lattices Mathematical analysis Mathematical models Orbitals Representations
Online-Zugang:	Volltext
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