Big Chemical Encyclopedia

Chemical substances, components, reactions, process design ...

Articles Figures Tables About

Large Curvature Ground-state model

Unsatisfactory features of these particular calculations are due to the limitations of the HF-RPA procedure to produce quantitatively correct spectroscopic patterns, and to the very small basis set that we adopted in order to carry out evaluations of several thousands of HF ground-electronic-state wave functions and their associated RPA spectra. Such a quantitative inadequacy of the computational model, however, does not alter the physical meaning of the conclusion that can be drawn the appearance of a single broad band in the optical spectrum of Na9 is simply a thermal broadening effect, which, in general, is particularly effective in the presence of several low-lying isomers or in the case of cluster structures characterized by low-frequency vibrations, accompanied by large nuclear displacements due to the low curvature of the BO surface. [Pg.43]


See other pages where Large Curvature Ground-state model is mentioned: [Pg.221]    [Pg.1061]    [Pg.221]    [Pg.189]    [Pg.264]    [Pg.101]    [Pg.373]   
See also in sourсe #XX -- [ Pg.392 ]




SEARCH



Curvature model

Curvatures

Ground-state modeling

Large curvature ground state

© 2024 chempedia.info