Resolution-of-identity approach to Hartree-Fock, hybrid density functionals, RPA, MP2 and GW with numeric atom-centered orbital basis functions

New Journal of Physics

Volumn 14, Issue , 2012, Pages

  Ren, Xinguo ^a   Rinke, Patrick ^a   Blum, Volker ^a   Wieferink, Jürgen ^a   Tkatchenko, Alexandre ^a   Sanfilippo, Andrea ^a   Reuter, Karsten ^a,b   Scheffler, Matthias ^a  

^a FRITZ HABER INSTITUT DER MAX PLANCK GESELLSCHAFT   (Germany)

^b TECHNICAL UNIVERSITY OF MUNICH   (Germany)

Author keywords

[No Author keywords available]

Indexed keywords

ATOMIZATION ENERGIES; AUXILIARY BASIS; BASIS FUNCTIONS; BASIS SETS; COMPUTATIONAL FRAMEWORK; CONVERGENCE BEHAVIORS; COULOMB REPULSIONS; EFFICIENT IMPLEMENTATION; FIRST-PRINCIPLES MODELING; GAUSSIANS; GW METHOD; HARTREE-FOCK; HYBRID DENSITY; MOLECULAR INTERACTION ENERGY; ORBITAL BASIS; ORBITALS; PLESSET PERTURBATION THEORY; RADIAL FUNCTIONS; RANDOM-PHASE APPROXIMATION; SECOND ORDERS; SELF ENERGY; SINGLE-PARTICLE; TEST SETS;

ATOMS; ELECTRONIC STRUCTURE; MOLECULES;

DENSITY FUNCTIONAL THEORY;

EID: 84862089442     PISSN: 13672630     EISSN: None     Source Type: Journal    
DOI: 10.1088/1367-2630/14/5/053020     Document Type: Article

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