New approximation to the bound states of Schroedinger operators with coulomb interaction
- Universidad Autonoma Metropolitana (Mexico)
In this work, the authors present a mathematical formulation of the physical fact that the bound states of a quantum system confined into a box {Omega} (with impenetrable walls) are similar to those of the unconfined system, if the box {Omega} is sufficiently large, and it is shown how the bound states of atomic and molecular Hamiltonians can be approximated by those of the system confined for a box {Omega} large enough (Dirichlet eigenproblem in {Omega}). Thus, a method for computing bound states is obtained which has the advantage of reducing the problem to the case of compact operators. This implies that a broad class of numerical and analytic techniques used for solving the Dirichlet problem, may be applied in full strength to obtain accurate computations of energy levels, wave functions, and other physical properties of interest.
- OSTI ID:
- 107048
- Report Number(s):
- CONF-9402143-; TRN: 95:020929
- Resource Relation:
- Conference: Atomic, molecular, and condensed matter theory and computational methods, Ponte Vedra Beach, FL (United States), 12-19 Feb 1994; Other Information: PBD: 1994; Related Information: Is Part Of Proceedings of the international symposium on atomic, molecular and condensed matter theory and computational methods; Loewdin, P.O.; Oehrn, N.Y.; Sabin, J.R.; Zerner, M.C. [eds.] [Florida Univ., Gainesville, FL (United States)]; PB: 714 p.
- Country of Publication:
- United States
- Language:
- English
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