16. Description of excited states in photochemistry with theoretical methods

2020 ◽  
pp. 379-414
Keyword(s):  
Excited States ◽  
Theoretical Methods

scholarly journals Ab initio Calculations of Absorption Coefficients of Small Carbon Hydride Molecules

1994 ◽  
Vol 146 ◽  
pp. 326-337
Author(s):  
S.D. Peyerimhoff
Keyword(s):  
Electronic Structure ◽  
Ab Initio Calculations ◽  
Small Molecules ◽  
Excited States ◽  
Quantum Chemical ◽  
Special Importance ◽  
Absorption Coefficients ◽  
Chemical Methods ◽  
Theoretical Methods ◽  
Quantum Chemical Methods

Quantum chemical methods have become a powerful tool for investigating the electronic structure of small molecules in ground and excited states. This is particularly true for species which are not easily accessible by experiment, either because they are short-lived, for example, or unstable under laboratory conditions or difficult to detect since their signals are hidden by other, prevailing molecules. In this sense theoretical methods are of special importance for molecules in atmospheric, stellar and interstellar environments.

Vuv Spectra Y to Mo

1988 ◽  
Vol 102 ◽  
pp. 239
Author(s):  
M.S.Z. Chaghtai
Keyword(s):  
Excited States ◽  
Spectral Analyses ◽  
Vuv Spectra

Using R.D. Cowan’s computations (1979) and parametric calculations of Meinders et al (1982), old analyses are thoroughly revised and extended at Aligarh, of Zr III by Khan et al (1981), of Nb IV by Shujauddin et Chaghtai (1985), of Mo V by Tauheed at al (1985). Cabeza et al (1986) confirmed the last one largely.Extensive studies have been reported of the 1–e spectra, Zr IV (Rahimullah et al 1980; Acquista and Reader 1980), Nb V (Shujauddin et al 1982; Kagan et al 1981) and Mo VI (Edlén et al 1985). Some interacting 4p54d2levels of these spectra have been reported from our laboratory, also.Detailed spectral analyses of transitions between excited states have furnished complete energy values for J ≠ 1 levels of these spectra during 1970s and 80s. Shujauddin et al (1982) have worked out Nb VI and Tauheed et al (1984) Mo VII from our lab, while Khan et al (1981) share the work on Zr V with Reader and Acquista (1979).

Excited states of nuclei in -coupling

Physica ◽  
1952 ◽  
Vol 18 (2) ◽  
pp. 1101-1104
Author(s):  
B FLOWERS
Keyword(s):  
Excited States

ACCESS OF EXCITED STATES TO THE CONTINUUM

1985 ◽  
Vol 46 (C7) ◽  
pp. C7-409-C7-412 ◽  
Author(s):  
C. K. Jørgensen
Keyword(s):  
Excited States ◽  
The Continuum
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