scholarly journals Franck-Condon factors to high vibrational quantum numbers I. N2 and N+2

1961 ◽  
Vol 65A (5) ◽  
pp. 451 ◽  
Author(s):  
R. W. Nicholls
Keyword(s):  
Quantum Numbers ◽  
Condon Factors ◽  
Franck Condon

FRANCK–CONDON FACTORS AND r-CENTROIDS TO HIGH VIBRATIONAL QUANTUM NUMBERS FOR THREE BAND SYSTEMS OF CO+ AND ABSOLUTE BAND STRENGTHS FOR THE COMET-TAIL SYSTEM

1962 ◽  
Vol 40 (12) ◽  
pp. 1772-1783 ◽  
Author(s):  
R. W. Nicholls
Keyword(s):  
Comet Tail ◽  
Condon Factor ◽  
Quantum Numbers ◽  
Condon Factors ◽  
Franck Condon ◽  
Morse Potentials

Franck–Condon factor and r-centroid arrays computed to high vibrational quantum numbers for Morse potentials are displayed for the CO+ comet-tail (A2Πi–X2Σ+), first negative (B2Σ+–X2Σ+), and Baldet–Johnson (B2Σ+–A2Πi) band systems. Estimates of band strengths are made for CO+ comet-tail bands.

The effect of high rotational quantum numbers on Franck-Condon factors

1982 ◽  
Vol 27 (1) ◽  
pp. 103-105 ◽  
Author(s):  
R. Ramakrishna Reddy ◽  
P. Sambasiva Rao ◽  
T.V. Ramakrishna Rao
Keyword(s):  
Quantum Numbers ◽  
Condon Factors ◽  
Franck Condon

Geometry Relaxations After Inner-Shell Excitations and Ionizations

2008 ◽  
Vol 73 (6-7) ◽  
pp. 771-785 ◽  
Author(s):  
Masahiro Ehara ◽  
Hiroshi Nakatsuji
Keyword(s):  
Excited States ◽  
Excitation Spectrum ◽  
Molecular Geometry ◽  
Length Change ◽  
Core Hole ◽  
Quantum Numbers ◽  
Condon Factors ◽  
Experimental Values ◽  
Franck Condon ◽  
Equilibrium Geometries

The geometry relaxations due to the inner-shell excitations and ionizations have been studied by the SAC-CI method. The characteristic molecular geometry changes were predicted for the core-hole states of CH4, NH3, H2O and HF: the calculated CH bond length change agrees well with the result simulated by the observed spectrum. The C1s excitation spectrum of CH4 was also investigated for the Rydberg states of the principal quantum numbers n = 3, 4 and 5. The potential energy curves of the dipole-allowed excited states were calculated for the totally symmetric stretching mode. The vibrational structure and Franck-Condon factors for the C1s excitation spectrum were well reproduced, which shows that the equilibrium geometries of the excited states were accurately evaluated. The geometries of the inner-shell π* excited states of N2O and CO2 were also examined. The calculated geometries of these states qualitatively agreed with the experimental values of the corresponding equivalent-core molecules.

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