Accurate localized resolution of identity approach for linear-scaling hybrid density functionals and for many-body perturbation theory

New Journal of Physics

Volumn 17, Issue 9, 2015, Pages

  Ihrig, Arvid Conrad ^a   Wieferink, Jürgen ^a   Zhang, Igor Ying ^a   Ropo, Matti ^a,b,c   Ren, Xinguo ^a,d   Rinke, Patrick ^a,c   Scheffler, Matthias ^a   Blum, Volker ^a,e  

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

^b TAMPERE UNIVERSITY OF TECHNOLOGY   (Finland)

^c AALTO UNIVERSITY   (Finland)

^d UNIVERSITY OF SCIENCE AND TECHNOLOGY OF CHINA   (China)

^e Duke University   (United States)

Author keywords

density fitting; hybrid density functionals; MP2; resolution of identity; RPA

Indexed keywords

CHEMICAL ELEMENTS; COMPUTATION THEORY; FUNCTIONS; GOLD COMPOUNDS; PERTURBATION TECHNIQUES; UNMANNED AERIAL VEHICLES (UAV);

DENSITY FITTING; EXCHANGE AND CORRELATION; HARTREE-FOCK CALCULATIONS; HYBRID DENSITY; HYBRID DENSITY FUNCTIONAL; MANY BODY PERTURBATION THEORY; MP2; RPA;

DENSITY FUNCTIONAL THEORY;

EID: 84943532831     PISSN: 13672630     EISSN: None     Source Type: Journal    
DOI: 10.1088/1367-2630/17/9/093020     Document Type: Article

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