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Eigenlevel calculations for screened coulomb potential systems via an integration‐free algorithm: Space pruning technique
Author(s) -
Baykara N. A.,
Demiralp M.
Publication year - 1988
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.560340306
Subject(s) - eigenfunction , coulomb , space (punctuation) , basis (linear algebra) , mathematics , algebraic number , integer (computer science) , algorithm , hamiltonian (control theory) , computer science , physics , mathematical analysis , quantum mechanics , mathematical optimization , eigenvalues and eigenvectors , geometry , electron , programming language , operating system
In this work, an algebraic method is developed to determine the eigenlevels of radially screened Coulomb potential systems. The method is mainly based on the concept of space pruning. The basis functions are combined in a way such that the resulting approximate eigenfunction and its several images under certain positive integer powers of the system's Hamiltonian ( H ) remain in the domain of H . Certain structural parameters are introduced into the basis functions to imitate some known behaviors of the true eigenfunctions of the system. The main purpose of this work is not to reproduce the results for screened Coulomb potential systems but to develop a method which does not necessitate integration at any stage and can later be adapted to atomic and molecular systems as easily as possible.