Premium
Exposé d'une méthode de détermination des orbitales virtuelles pour les interactions de configurations. Application à l'etat fondamental de l'atome de béryllium
Author(s) -
Leclercq J. M.
Publication year - 1969
Publication title -
international journal of quantum chemistry
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 0.484
H-Index - 105
eISSN - 1097-461X
pISSN - 0020-7608
DOI - 10.1002/qua.560030103
Subject(s) - beryllium , ground state , atomic orbital , generalization , atom (system on chip) , atomic physics , chemistry , physics , quantum mechanics , mathematics , electron , mathematical analysis , computer science , nuclear physics , embedded system
A method for the determination of the virtual orbitals for configuration interaction is described. This method is a generalization of the one used by Watson in 1960 for the ground state of the beryllium atom. The important point in the method is to complete the set of functions used successively. As an illustration the method is applied to the ground state of the beryllium atom. The method seems to be efficient.