Premium
Bound states of multipoles
Author(s) -
Pupyshev Vladimir I.,
Ermilov Alexandr Y.
Publication year - 2003
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.10570
Subject(s) - quadrupole , bound state , dipole , physics , quantum mechanics , planar , charge (physics) , point particle , embedding , square (algebra) , unit (ring theory) , electron , atomic physics , mathematics , geometry , computer graphics (images) , mathematics education , artificial intelligence , computer science
For the classical point‐charge systems, such as two‐point dipole, linear and planar square quadrupoles, and cubic octupole, the critical‐charge values, which ensure the existence of the bound states in the one‐electron problem, are determined numerically within both the linear combination of atomic orbital and the finite‐difference approximations. The methods of the critical parameters calculation for the problem of the discrete spectrum state embedding into the continuum are considered. The estimated critical‐charge values for the square quadrupole and the cubic octupole (with unit side and edge, respectively) are estimated to be 1.6516 and 1.7257 a.u., respectively. The qualitative analysis of the problem is also presented. © 2003 Wiley Periodicals, Inc. Int J Quantum Chem, 2004