Publisher's Note: “A quantum defect model for the s, p, d, and f Rydberg series of CaF” [J. Chem. Phys. 134, 114313 (2011)]

2012 ◽  
Vol 136 (8) ◽  
pp. 089903
Author(s):  
Jeffrey J. Kay ◽  
Stephen L. Coy ◽  
Bryan M. Wong ◽  
Christian Jungen ◽  
Robert W. Field
Keyword(s):  
Chem Phys ◽  
Quantum Defect ◽  
Rydberg Series ◽  
Defect Model

scholarly journals A quantum defect model for the s, p, d, and f Rydberg series of CaF

2011 ◽  
Vol 134 (11) ◽  
pp. 114313 ◽  
Author(s):  
Jeffrey J. Kay ◽  
Stephen L. Coy ◽  
Bryan M. Wong ◽  
Christian Jungen ◽  
Robert W. Field
Keyword(s):  
Quantum Defect ◽  
Rydberg Series ◽  
Defect Model

scholarly journals Lower Rydberg series of methane: A combined coupled cluster linear response and molecular quantum defect orbital calculation

2006 ◽  
Vol 124 (12) ◽  
pp. 124313 ◽  
Author(s):  
A. M. Velasco ◽  
J. Pitarch-Ruiz ◽  
Alfredo M. J. Sánchez de Merás ◽  
J. Sánchez-Marín ◽  
I. Martin
Keyword(s):  
Linear Response ◽  
Quantum Defect ◽  
Coupled Cluster ◽  
Rydberg Series

Quantum defect theory of dipole-mixed Rydberg states in CaF

2001 ◽  
Vol 79 (2-3) ◽  
pp. 287-298 ◽  
Author(s):  
Ch. Jungen ◽  
A L Roche
Keyword(s):  
Preceding Paper ◽  
Chem Phys ◽  
Quantum Defect ◽  
Quadrupole Moments ◽  
R Matrix ◽  
Fitting Procedure ◽  
Quantum Numbers ◽  
Effective Principal ◽  
Vibration Rotation ◽  
Quantum Defect Theory

491 rovibronic levels of electronically highly excited CaF have been analyzed using multichannel quantum defect theory (MQDT). These levels, observed in the experiments described in the preceding paper, correspond to effective principal quantum numbers ν [Formula: see text] 12–18, partial wave components l = 0–3, and vibration–rotation quantum numbers ν = 1 and N = 0–14. A set of nondiagonal quantum defect matrices has been extracted from the experimental data by means of a global least-squares-fitting procedure, and is found to agree reasonably well with the theoretical quantum defect matrices calculated previously by Arif et al. J. Chem. Phys. 106, 4102 (1997) where the variational R-matrix method was used. The MQDT analysis accounts for rotational–electronic nonadiabatic decoupling of the Rydberg electron from the rotating dipolar core as well as for strong l-mixing induced by the latter. The quantum defects determined for l = 3 yield approximate values for the core dipole and quadrupole moments. PACS Nos.: 33.10Lb, 34.50Gb, 34.60+z

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