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Volumn 135, Issue 9, 2011, Pages

Accurate predictions of the energetics of silicon compounds using the multireference correlation consistent composite approach

Author keywords

[No Author keywords available]

Indexed keywords

ACCURATE PREDICTION; ALUMINIDES; ATOMIZATION ENERGIES; BASIS SETS; COMPLETE ACTIVE SPACE SELF-CONSISTENT FIELDS; CORE-VALENCE CORRELATION; COUPLED-CLUSTER SINGLES; ENTHALPIES OF FORMATION; FROBENIUS NORM; MULTI REFERENCE; RELATIVISTIC EFFECTS; SCALAR-RELATIVISTIC EFFECTS; SPIN-ORBIT COUPLINGS; THEORETICAL STUDY;

EID: 80052796694     PISSN: 00219606     EISSN: None     Source Type: Journal    
DOI: 10.1063/1.3626838     Document Type: Article
Times cited : (25)

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    • See supplementary material at http://dx.doi.org/10.1063/1.3626838 E-JCPSA6-135-051132 for the enthalpies of formation, total atomization energies, and adiabatic transition states of the ground states and lowest-lying spin forbidden excited states using the different variants of MR-ccCA.


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