A variational method for the calculation of ro-vibronic levels of any orbitally degenerate (Renner-Teller) triatomic molecule

1984 ◽  
Vol 52 (6) ◽  
pp. 1367-1391 ◽  
Author(s):  
S. Carter ◽  
N.C. Handy
1983 ◽  
Vol 49 (3) ◽  
pp. 745-748 ◽  
Author(s):  
S. Carter ◽  
N.C. Handy ◽  
B.T. Sutcliffe

Author(s):  
Khalid Elhasnaoui ◽  
◽  
A. Maarouf ◽  
M. Badia ◽  
M. Benhamou ◽  
...  

2019 ◽  
Vol 70 (10) ◽  
pp. 3538-3544
Author(s):  
Alina Costina Luca ◽  
Ana Cezarina Morosanu ◽  
Irina Macovei ◽  
Dan Gheorghe Dimitriu ◽  
Dana Ortansa Dorohoi ◽  
...  

Electro-optical parameters of fluorescein molecule in the second excited electronic state and information on the interactions with solvents were obtained from a solvatochromic study. Parameters of the solvents such as the refractive index, electrical permittivity and Kamlet-Taft parameters (hydrogen bond acidity and basicity) were related with the experimentally recorded shifts of UV absorption spectral band of fluorescein dissolved in several solvents. Through a variational method, the electric dipole moment and polarizability in excited state of fluorescein molecule were estimated. The calculus requires some parameters of the fluorescein molecule in the ground electronic state, which were determined through a quantum-mechanical study.


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