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Variational principles for bound states of Schrödinger and Dirac equations allowing the use of discontinuous trial functions (0)

by R Szmytkowski, S Bielski
Venue:Int. J. Quantum Chem
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S (2004) Dirichlet-to-Neumann and Neumann-to-Dirichlet embedding methods for bound states of the Schrödinger equation. Phys Rev A 70:042103

by Sebastian Bielski
"... Two methods for computing bound states of the Helmholtz equation in a finite domain are presented. The methods are formulated in terms of the Dirichlet-to-Neumann (DtN) and Neumann-to-Dirichlet (NtD) surface integral operators. They are adapted from the DtN and NtD methods for bound states of the Sc ..."
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Two methods for computing bound states of the Helmholtz equation in a finite domain are presented. The methods are formulated in terms of the Dirichlet-to-Neumann (DtN) and Neumann-to-Dirichlet (NtD) surface integral operators. They are adapted from the DtN and NtD methods for bound states of the Schrödinger equation in R 3. A variational principle that enables the usage of the operators is constructed. The variational principle allows the use of discontinuous (in values or derivatives) trial functions. A numerical example presenting the usefulness of the DtN and NtD methods is given. 1
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...II(ρ), ∇⊥Ψ I(ρ) = ∇⊥Ψ II(ρ). (33) It is worth noting that such functionals are rather rarely applied. More details about the construction of similar functionals maybefoundinthepaperofSzmytkowskietal.=-=[21]-=-, where variational principles for bound states of the Schrödinger and the Dirac equations have been presented. The procedure shown in this section may be also applied if on some part of the boundary ...

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