Accuracy of spectroscopic constants of diatomic molecules from ab initio calculations

Journal of Chemical Physics

Volumn 118, Issue 6, 2003, Pages 2539-2549

  Pawlowski, Filip ^a   Halkier, Asger ^a   Jørgensen, Poul ^a   Bak, Keld L ^b   Helgaker, Trygve ^c   Klopper, Wim ^d  

^a AARHUS UNIVERSITY   (Denmark)

^b UNI C ^*  (Denmark)

^c UNIVERSITY OF OSLO   (Norway)

^d UTRECHT UNIVERSITY   (Netherlands)

Author keywords

[No Author keywords available]

Indexed keywords

ATOMIC PHYSICS; CHEMICAL BONDS; CONVERGENCE OF NUMERICAL METHODS; ERRORS; GROUND STATE; PHASE EQUILIBRIA; QUANTUM THEORY; STATISTICAL METHODS;

ANHARMONIC CONTRIBUTION; DIATOMIC MOLECULES; EQUILIBRIUM BOND DISTANCES; QUADRUPLE ZETA LEVEL; ROTATIONAL CONSTANT; SPECTROSCOPIC CONSTANTS;

MOLECULAR DYNAMICS;

EID: 0037425874     PISSN: 00219606     EISSN: None     Source Type: Journal    
DOI: 10.1063/1.1533032     Document Type: Article

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