Molecular Constants for the l‐Uncoupled Electronic States 3d 1,3Δg and 3d 1,3Πg of the Hydrogen Molecule

1967 ◽  
Vol 46 (9) ◽  
pp. 3687-3688 ◽  
Author(s):  
Marshall L. Ginter
Keyword(s):  
Hydrogen Molecule ◽  
Electronic States ◽  
Molecular Constants

Low-lying electronic states of CuBr

2001 ◽  
Vol 79 (2-3) ◽  
pp. 299-343 ◽  
Author(s):  
T Hirao ◽  
P F Bernath
Keyword(s):  
Fourier Transform ◽  
Electronic States ◽  
Buffer Gas ◽  
Fourier Transform Spectrometer ◽  
Molecular Constants ◽  
Expansion Formula ◽  
Condon Factors ◽  
Mass Dependent ◽  
Franck Condon ◽  
Potential Curves

The A1Π – X1Σ+ and B1Σ+ – X1Σ+ transitions of copper monobromide, CuBr, were recorded with a Fourier transform spectrometer. The emission was generated by using a hollow cathode discharge of Ar buffer gas and a mixture of Cu and CuBr powders. The mass-dependent Dunham expansion formula was used to obtain improved molecular constants for the ground, A and B states. These molecular constants provided RKR potential curves and Franck–Condon factors for the A–X and B–X transitions.PACS No. 35.80 transitions. PACS No. 35.80

The electronic emission spectrum of triatomic hydrogen. I. Parallel bands of H3 and D3 near 5600 and 6025 Å

1980 ◽  
Vol 58 (8) ◽  
pp. 1238-1249 ◽  
Author(s):  
I. Dabrowski ◽  
G. Herzberg
Keyword(s):  
Interstellar Medium ◽  
Emission Spectrum ◽  
Detailed Analysis ◽  
Ground State ◽  
Emission Band ◽  
Rydberg States ◽  
Electronic States ◽  
Molecular Constants ◽  
Additional Band ◽  
Rydberg Electron

A spectrum of triatomic hydrogen and deuterium was first discovered by means of an emission band with diffuse rotational structure near 5600 Å. An additional band of similar but much better resolved structure was subsequently observed near 6025 Å. The detailed analysis of these two bands for both H3 and D3 is described in this paper. Both bands are [Formula: see text] bands of a symmetric top; their structure establishes beyond doubt that triatomic hydrogen has a D3h structure in its Rydberg states. The molecular constants in upper and lower states are close to those in the ground state of H3+ (or D3+) in accordance with the assumption that these states are Rydberg states in which a single electron moves around a H3+ or D3+ core. The predicted states of such a Rydberg electron in a field of D3h symmetry account very well for the observed electronic states, both those involved in the [Formula: see text] bands described here and those involved in the [Formula: see text] bands to be discussed in subsequent papers of this series. The lowest state of the Rydberg electron 2p2E′ is unstable and dissociates to H2 + H in their ground states. It is this state that causes predissociation in the two lower states 2s2A1′and 2p2A2″ of the two [Formula: see text] bands here under discussion. The predissociation of 2s2A1′ is vibronically allowed and fairly strong such that all lines have widths of about 7 cm−1 for D3 and 30 cm−1 for H3. The predissociation of the 2p2A2″ state is vibronically forbidden and occurs only on account of ro-vibronic interaction. H3+ ions are assumed to be present in the interstellar medium. When they recombine with electrons they must necessarily emit the spectra described in this series of papers.

Transition probabilities and molecular constants of the low-lying electronic states of the MgS molecule

2010 ◽  
Vol 492 (1-3) ◽  
pp. 19-24 ◽  
Author(s):  
Vladir W. Ribas ◽  
Luiz F.A. Ferrão ◽  
Orlando Roberto-Neto ◽  
Francisco B.C. Machado
Keyword(s):  
Transition Probabilities ◽  
Electronic States ◽  
Molecular Constants

The electrostatic calculation of molecular energies - I. Methods of calculating molecular energies

1954 ◽  
Vol 226 (1165) ◽  
pp. 170-178 ◽  
Keyword(s):  
Complex Systems ◽  
Conventional Method ◽  
Hydrogen Molecule ◽  
Electronic States ◽  
Wave Functions ◽  
Hydrogen Molecular Ion ◽  
New Methods ◽  
Electrostatic Method ◽  
Conventional Calculation ◽  
Approximate Wave

The calculation of molecular energies from assumed approximate wave functions is discussed. It is shown that the conventional method, based on the Hamiltonian integral, is but one of several possible approximations, and that two other methods, the virial method and the electrostatic method, avoid the most serious difficulties encountered in a conventional calculation. The mathematical simplicity of the new methods makes them especially suitable for non-empirical calculations on complex systems. The electrostatic method is exemplified by detailed calculations on various electronic states of the hydrogen molecule and the hydrogen molecular ion.

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