Approaching the theoretical limit in periodic local MP2 calculations with atomic-orbital basis sets: The case of LiH

Journal of Chemical Physics

Volumn 134, Issue 21, 2011, Pages

  Usvyat, Denis ^a   Civalleri, Bartolomeo ^b   Maschio, Lorenzo ^b   Dovesi, Roberto ^b   Pisani, Cesare ^b   Schütz, Martin ^a  

^a UNIVERSITY OF REGENSBURG   (Germany)

^b UNIVERSITY OF TURIN   (Italy)

Author keywords

[No Author keywords available]

Indexed keywords

ATOMIC-ORBITAL BASIS; BASIS FUNCTIONS; BASIS SETS; COMPLETE BASIS SET LIMIT; CORRELATION ENERGY; DUAL BASIS; HIGH QUALITY; LINEAR DEPENDENCY; LOCAL APPROXIMATION; MP2 CALCULATIONS; ORBITAL EXCITATIONS; PERTURBATION THEORY; SECOND ORDERS; THEORETICAL LIMITS;

PERTURBATION TECHNIQUES; QUANTUM CHEMISTRY;

ATOMS;

EID: 79958853278     PISSN: 00219606     EISSN: None     Source Type: Journal    
DOI: 10.1063/1.3595514     Document Type: Article

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