Narrowing the error in electron correlation calculations by basis set re-hierarchization and use of the unified singlet and triplet electron-pair extrapolation scheme: Application to a test set of 106 systems

Journal of Chemical Physics

Volumn 141, Issue 22, 2014, Pages

  Varandas, A J C ^a,b   Pansini, F N N ^c  

^a UNIVERSITY OF COIMBRA   (Portugal)

^b FEDERAL UNIVERSITY OF ESPÍRITO SANTO   (Brazil)

^c MINISTRY OF EDUCATION OF BRAZIL   (Brazil)

Author keywords

[No Author keywords available]

Indexed keywords

EXTRAPOLATION; HIERARCHICAL SYSTEMS; NUMERICAL METHODS; PERTURBATION TECHNIQUES;

ATOMIZATION ENERGIES; CORRELATION ENERGY; COUPLED-CLUSTER SINGLES AND DOUBLES; ELECTRON CORRELATION CALCULATIONS; EXTRAPOLATION SCHEMES; ONE-ELECTRON BASIS; PLESSET PERTURBATION THEORY; THEORETICAL MODELING;

ELECTRONS;

EID: 84916912287     PISSN: 00219606     EISSN: None     Source Type: Journal    
DOI: 10.1063/1.4903193     Document Type: Article

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