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AbstractsThe one-electron Hamiltonian method is developed to solve the variational equations of the MC SCF theory.The many-parameter family of the one-electron Hamiltonian is derived and conditions for parameters to provide convergence of the SCF procedure to the energy minimum are obtained. A computation scheme based on the use of the one-electron Hamiltonian is described.La mkthode d'un Hamiltonien B un klectron est dCveloppCe pour rksoudre les Cquations variationnelles de la thkorie MC SCF. On obtient une famille a plusieurs parametres de cet Hamiltonien ainsi que des conditions de convergence du procCdk SCF. On decrit un procedk numkrique base sur I'emploi de 1'Hamiltonien B un klectron.Die auf einem Einelektronenhamiltonoperator gegrundete Methode ist fur die Losung der Variationsgleichungen der Mc-scF-Theorie entwickelt. Eine Vielparameterfamilie dieses Operators wird hergeleitet und Bedingungen fur die Konvergenz des scF-Vervahrens werden erhalten. Ein auf der Anwendung des Einelektronenoperators basiertes numerisches Verfahren wird beschrieben. 7 Present address:

The calculations of the charge distribution in the C 60 -based FET structure are presented. A simple model is proposed to describe the distribution of injected electrons or holes between two-dimensional layers. The calculations show that the relative layer charges are independent on the total amount of injected charges. The charge density is maximal on the surface layer and drops exponentially with the depth increase. The relative portions of injected charge involved in the top layer are 73 and 64 per cent in the case of electron and hole injection, respectively. Thus, the degree of charge localization on the crystal surface turns to be markedly different from the result obtained earlier within the tight-binding model predicting near-complete localization for the charge concentration providing superconductivity.