Erratum: The O(4) wave functions in the vibron model for diatomic molecules [J. Chem. Phys. 84, 2698 (1986)]

1986 ◽  
Vol 85 (1) ◽  
pp. 642-643 ◽  
Author(s):  
A. Frank ◽  
R. Lemus
Keyword(s):  
Diatomic Molecules ◽  
Chem Phys ◽  
Wave Functions

An alternative mechanism for spin-forbidden photo-ionization of diatomic molecules and its rotation–electronic selection rules

1990 ◽  
Vol 68 (2) ◽  
pp. 177-183 ◽  
Author(s):  
Ying-Nan Chiu ◽  
Lue-Yung Chow Chiu
Keyword(s):  
Diatomic Molecules ◽  
Rotational Level ◽  
Electric Quadrupole ◽  
Chem Phys ◽  
Electric Dipole Transition ◽  
Wave Functions ◽  
Alternative Mechanism ◽  
Selection Rules ◽  
Photon Ionization ◽  
Photo Ionization

The spin-forbidden photo-ionization of diatomic molecules is proposed. Spin orbit interaction is invoked resulting in the correction and mixing of the wave functions of different multiplicities. The rotation–electronic selection rules given, but not proven, by Dixit and McKoy for Hund's case a based on the conventional mechanism of electric dipole transition (see Chem. Phys. Lett. 128, 49 (1986) are rederived and expressed in a different format. This new format permits the generalization of the selection rules to other photo-ionization transitions caused by the magnetic dipole, the electric quadrupole, and the two- and three-photon operators. These selection rules, which are for transitions from one specific rotational level of a given Kronig reflection symmetry to another, will help understand rotational branching and the dynamics of interaction in the excited state. They will also help in the selective preparation of well-defined rovibronic states in resonant-enhanced multi-photon ionization processes.

Theoretical calculations of electronic Raman effects of the NO and O2 molecules

1970 ◽  
Vol 48 (14) ◽  
pp. 1664-1674 ◽  
Author(s):  
D. W. Lepard
Keyword(s):  
Raman Spectrum ◽  
Raman Spectra ◽  
Theoretical Calculations ◽  
Diatomic Molecules ◽  
Wave Functions ◽  
Rotational Structure ◽  
Intermediate Case ◽  
First Time

This paper presents a method for calculating the relative intensities and Raman shifts of the rotational structure in electronic Raman spectra of diatomic molecules. The method is exact in the sense that the wave functions used for the calculations may belong to any intermediate case of Hund's coupling schemes. Using this method, theoretical calculations of the pure rotational and electronic Raman spectrum of NO, and the pure rotational Raman spectrum of O2, are presented. Although a calculated stick spectrum for NO was previously shown by Fast et al., the details of this calculation are given here for the first time.

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