The Generator Coordinate Method in Molecular Physics
There are several reasons why a new method for the study of molecular properties might be proposed. According to some authors (Woolley, 1976; Woolley and Sutcliffe, 1977) there are inherent defects in the semiclassical theory resulting from the Born-Oppenheimer approximation. In the traditional method nuclei and electrons are treated unsymmetrically; the nuclei are considered as classical point charges in the initial stage of the theory. A number of concepts such as the energy surface and the molecular shape are introduced, the precise physical meaning and the theoretical consistency of which may be severely criticized. Although the complete adiabatic method yields an exact result in principle, in practice the nature of the convergence of the Born-Huang series and the complexity of the system of coupled differential equations to which it leads, seem to inhibit fruitful applications. Both of these aspects of the traditional molecular theory will be discussed elsewhere in this course.
KeywordsHelium Convolution Librium Peaked
Unable to display preview. Download preview PDF.
- Broeckhove, J., 1979, private communication.Google Scholar
- Caurier, E., 1975, in “Proceedings of the 2nd International Seminar on the GCM for nuclear Bound states and Reactions”, M. Bouten and P. Van Leuven, eds., S.C.K., Mol.Google Scholar
- Messiah, A., 1961, Quantum Mechanics, North Holland Publ., Amsterdam.Google Scholar
- Shavitt, I., 1962, Methods in Computational Physics 2, Ac. Press, New York.Google Scholar
- Thakkar, A.J. and Smith, V.H., Jr., 1976, Phys. Rev. A15: 15.Google Scholar
- Wiener, N., 1933, The Fourier Integral and some of its Applications, Cambridge University Press, Cambridge.Google Scholar