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Quantum Chemistry
Finite Size Scaling for Criticality of the Schrödinger Equation
arXiv
Authors: Sabre Kais
Year
2010
Paper ID
11168
Status
Preprint
Abstract Read
~2 min
Abstract Words
210
Citations
N/A
Abstract
By solving the Schrödinger equation one obtains the whole energy spectrum, both the bound and the continuum states. If the Hamiltonian depends on a set of parameters, these could be tuned to a transition from bound to continuum states. The behavior of systems near the threshold, which separates bound-states from continuum states, is important in the study of such phenomenon as: ionization of atoms and molecules, molecule dissociation, scattering collisions and stability of matter. In general, the energy is non-analytic as a function of the Hamiltonian parameters or a bound-state does not exist at the threshold energy. The overall goal of this chapter is to show how one can predict, generate and identify new class of stable quantum systems using large-dimensional models and the finite size scaling approach. Within this approach, the finite size corresponds not to the spatial dimension but to the number of elements in a complete basis set used to expand the exact eigenfunction of a given Hamiltonian. This method is efficient and very accurate for estimating the critical parameters, \{λi\}, for stability of a given Hamiltonian, H\(λi\). We present two methods of obtaining critical parameters using finite size scaling for a given quantum Hamiltonian: The finite element method and the basis set expansion method.
Why This Paper Matters
- This paper contributes to the Quantum Chemistry research area in the Quantum Articles archive.
- It adds a 2010 reference point for readers tracking recent quantum research.
- By solving the Schrödinger equation one obtains the whole energy spectrum, both the bound and the continuum states.
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