Ground states of BeC and MgC: A comparative multireference brillouin-wigner coupled cluster and configuration interaction study

International Journal of Quantum Chemistry

Volumn 102, Issue 5 SPEC. ISS., 2005, Pages 762-774

  Teberekidis, Vasilios I ^a   Kerkines, Ioannis S K ^b   Tsipis, Constantinos A ^a   Čársky, Petr ^c   Mavridis, Aristides ^b  

^a ARISTOTLE UNIVERSITY OF THESSALONIKI   (Greece)

^b UNIVERSITY OF ATHENS   (Greece)

^c J HEYROVSKÝ INSTITUTE OF PHYSICAL CHEMISTRY   (Czech Republic)

Author keywords

Carbides; Multireference configuration interaction; Multireference coupled cluster; Spectroscopic constants

Indexed keywords

ALKALINE EARTH METALS; BERYLLIUM COMPOUNDS; CARBIDES; CORRELATION METHODS; ELECTRIC EXCITATION; EXTRAPOLATION; MAGNESIUM COMPOUNDS; SPECTROSCOPIC ANALYSIS;

MULTIREFRENCE CONFIGURATION INTERACTION; MULTIREFRENCE COUPLED CLUSTER; SPECTROSCOPIC CONSTANTS; WAVEFUNCTIONS;

GROUND STATE;

EID: 17644394618     PISSN: 00207608     EISSN: None     Source Type: Journal    
DOI: 10.1002/qua.20379     Document Type: Article

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