Potential energy well

In a time-dependent picture, resonances can be viewed as localized wavepackets composed of a superposition of continuum wavefimctions, which qualitatively resemble bound states for a period of time. The unimolecular reactant in a resonance state moves within the potential energy well for a considerable period of time, leaving it only when a fairly long time interval r has elapsed r may be called the lifetime of the almost stationary resonance state. 

In particular, the probability of finding the unimolecular reactant within its potential energy well decreases according to this law. Thus F detemrines tire lifetune of the state and the state specific unimolecular rate constant is... 

If a molecule is strained, atoms may not be ver y close to the minimum of their individual potential energy wells when the best compromise geometry is reached. In such a case, the geometric criterion does not provide an exit from the loop. Programs are usually written so that they can automatically switch from a geometric minimization criterion to an energy minimization procedure. 

The potential energy is never known in an absolute sense but is always measured relative to some arbihary benchmark. Let us set the potential energy to zero at the equilibrium bond length, Vq = 0, which is the bottom of the potential energy well. 

Here we shall be concerned with the interaction of inacming diatomic molecules (H-/ 0.) with either types of potential energy wells The molecular InteractJjon (responsible for elastic and direct-inelastic scattering with extremely short residence times of the irpinglng molecules in the potential) and the chemisorptive interaction (leading to dissociative adsorption and associative desorption, reflectively, and associated with H (D) atoms trapped in the chemisorption potential for an appreci le time). 

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