Repulsive potential energy

Figure B2.3.10. Potential energy eiirves [42] of the ground X and exeited A eleetronie states of the hydroxyl radieal. Several vibrational levels are explieitly drawn in eaeh eleetronie state. One vibrational transition is explieitly indieated, and the upper and lower vibrational wavefiinetions are plotted. The upper and lower state vibrational quantum numbers are denoted V and v", respeetively. Also shown is one of the three repulsive potential energy eurves whieh eorrelate with the ground 0( P) + H dissoeiation asymptote. These eause predissoeiation of the higher rotational and vibrational levels of the A state.

Fig. 8. Potential energy surfaces for ligand addition. Case (c) weakly repulsive potential energy surface for approach of the incoming ligand to the high-spin metal fragment.

At this point, the gas behavior becomes anomalously ideal, owing to fortuitous cancellation (rather than absence) of attractive and repulsive potential energy contributions, and nonideality appears only in the higher-order density terms. 

D. M. Neumark We indeed take the translational energy distribution from CH3O dissociation to be evidence for exit channel interactions on a repulsive potential-energy surface. This is in contrast to photodissociation of the vinoxy radical, for which very little variation of the CH3 + CO translational energy distribution occurs over a 0.5-eV range of excitation energy. 

The rate at which a sol coagulates depends on the frequency with which the particles encounter one another and the probability that their thermal energy is sufficient to overcome the repulsive potential energy barrier to coagulation when these encounters take place. 

In more quantitative terms can now be taken in conjunction with the properties of the medium to obtain an expression for the electrostatic repulsive potential energy, V. As an example, Reerink and Overbeek (14) found for two spheres of radius a, with their surfaces separated by a distance h, the expression -... 

Imre, D.G., Kinsey, J.L., Field, R.W., and Katayama, D.H. (1982). Spectroscopic characterization of repulsive potential energy surfaces Fluorescence spectrum of ozone, J. Phys. Chem. 86, 2564-2566. 

The ground state electronic energy of the real molecule is the sum of the electron kinetic energies, the nucleus-electron attraction potential energies, and the electron-electron repulsion potential energies ... 

Figure 14. The effect of different repulsive potential energy curves (1 and 2) on the total interaction energy for a given attractive energy curve. (Reproduced with permission from reference 16. Copyright 1981 Butterworth Heinemann...

The final term in eqn (6.79) arises from the projection of the electron-electron repulsive potential energy from F by the single-particle operator... 

In the same theoretical paper by Beach [61], the one-electron system HeH was also calculated and it was predicted to have a purely repulsive potential energy curve for the ground state. The same result was found in more recent... 

In a photodissociation reaction it is usual for the initial state of the molecule to be the ground vibrational state of the ground electronic state. The incident radiation is resonant with an excitation to an electronic state that is dissociative (repulsive potential energy surface) or predissociative (the optically allowed transition is to a bound-state potential energy surface that intersects a repulsive surface). In the Franck-Condon picture, the electrons respond instantaneously to the incident light, while the relatively massive nuclei respond only slowly. Hence, on absorption of a photon the nuclear wave-function retains its shape but is projected up to the dissociative electronic state. In the traditional approach to the calculation of the photodissociation... 

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