Vibrational energies of PH3 calculated variationally at the complete basis set limit

Journal of Chemical Physics

Volumn 129, Issue 4, 2008, Pages

  Ovsyannikov, Roman I ^a,e   Thiel, Walter ^b   Yurchenko, Sergei N ^c   Carvajal, Miguel ^d   Jensen, Per ^a  

^a UNIVERSITY OF WUPPERTAL   (Germany)

^b MAX PLANCK INSTITUT FÜR KOHLENFORSCHUNG   (Germany)

^c DRESDEN UNIVERSITY OF TECHNOLOGY   (Germany)

^d UNIVERSITY OF HUELVA   (Spain)

^e INSTITUTE OF APPLIED PHYSICS   (Russian Federation)

Author keywords

[No Author keywords available]

Indexed keywords

ELECTRONIC STRUCTURE; POTENTIAL ENERGY SURFACES; QUANTUM CHEMISTRY; VARIATIONAL TECHNIQUES;

AB-INITIO; AB-INITIO ELECTRONIC STRUCTURE CALCULATIONS; BASIS SETS; CCSD(T); COMPLETE BASIS SET LIMITS; ELECTRONIC GROUND STATES; ENERGY VALUES; RELATIVISTIC CORRECTIONS; VARIATIONAL CALCULATIONS; VIBRATIONAL ENERGIES;

POTENTIAL ENERGY;

EID: 49149112412     PISSN: 00219606     EISSN: None     Source Type: Journal    
DOI: 10.1063/1.2956488     Document Type: Article

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