## Abstract The exact (nonadiabatic) nuclear and electronic factors of a molecular wave function are expanded in the basis of eigenfunctions of the electronic Hamiltonian according to the RayleighβSchrΓΆdinger perturbation theory of Born and Huang. Thus it is shown that, with rare exceptions, the ex
Nodeless wave function quantum theory
β Scribed by Geoffrey Hunter
- Publisher
- John Wiley and Sons
- Year
- 1980
- Tongue
- English
- Weight
- 267 KB
- Volume
- 17
- Category
- Article
- ISSN
- 0020-7608
No coin nor oath required. For personal study only.
β¦ Synopsis
Abstract
The nodes where the wave function changes sign in conventional quantum theory can alternatively be regarded as places where the wave function descends to zero but rises again without changing its sign. This behavior is accomplished by adding delta function barriers to the potential energy wherever a node occurs in the wave function. This model is supported by the recognition that the wave functions of a subsystem, which is not truly isolated, are really marginal amplitudes which implicitly average out interactions of the system with its environment. The finite effect of these interactions is to replace the delta function barriers by barriers of finite width and height.
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