Inversion levels of H3O+ as a probe for the basis set convergence in traditional and explicitly correlated coupled-cluster calculations

Molecular Physics

Volumn 102, Issue 21-22, 2004, Pages 2259-2268

  Rajamäki, Timo ^a   Noga, Jozef ^b,c   Valiron, Pierre ^d   Halonen, Lauri ^a  

^a UNIVERSITY OF HELSINKI   (Finland)

^b INSTITUTE OF CHEMISTRY   (Slovakia)

^c Physics and Informatics   (Slovakia)

^d UNIV GRENOBLE ALPES   (France)

Author keywords

[No Author keywords available]

Indexed keywords

APPROXIMATION THEORY; CONVERGENCE OF NUMERICAL METHODS; ELECTRIC EXCITATION; ELECTRONIC STRUCTURE; EXTRAPOLATION; POTENTIAL ENERGY; PROBLEM SOLVING; SPECTROSCOPIC ANALYSIS;

CORRELATION ENERGIES; EXTRAPOLATION TECHNIQUES; HARTREE-FOCK (HF); SELF-CONSISTENT FIELD (SCF);

MOLECULAR PHYSICS;

EID: 10844265419     PISSN: 00268976     EISSN: None     Source Type: Journal    
DOI: 10.1080/00268970412331287197     Document Type: Article

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