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On the variational principle for the non-linear Schrödinger equation
Journal of Mathematical Chemistry ( IF 1.81 ) Pub Date : 2019-11-23 , DOI: 10.1007/s10910-019-01082-5
Zsuzsanna É. Mihálka, Ádám Margócsy, Ágnes Szabados, Péter R. Surján

While variation of the energy functional yields the Schrödinger equation in the usual, linear case, no such statement can be formulated in the general nonlinear situation when the Hamiltonian depends on its eigenvector. In this latter case, as we illustrate by sample numerical calculations, the points of the energy expectation value hypersurface where the eigenvalue equation is satisfied separate from those where the energy is stationary. We show that the variation of the energy at the eigensolution is determined by a generalized Hellmann–Feynman theorem. Functionals, other than the energy, can, however be constructed, that result the nonlinear Schrödinger equation upon setting their variation zero. The second centralized moment of the Hamiltonian is one example.
更新日期:2019-11-26

 

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