Dynamical ionization bounds for atoms
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Time-dependent Schrödinger equations and Dirac equations (35Q41) NLS equations (nonlinear Schrödinger equations) (35Q55) Closed and approximate solutions to the Schrödinger, Dirac, Klein-Gordon and other equations of quantum mechanics (81Q05) Selfadjoint operator theory in quantum theory, including spectral analysis (81Q10) Atomic physics (81V45)
Abstract: We study the long-time behavior of the 3-dimensional repulsive nonlinear Hartree equation with an external attractive Coulomb potential , which is a nonlinear model for the quantum dynamics of an atom. We show that, after a sufficiently long time, the average number of electrons in any finite ball is always smaller than 4Z (respectively 2Z in the radial case). This is a time-dependent generalization of a celebrated result by E.H. Lieb on the maximum negative ionization of atoms in the stationary case. Our proof involves a novel positive commutator argument (based on the cubic weight ) and our findings are reminiscent of the RAGE theorem. In addition, we prove a similar universal bound on the local kinetic energy. In particular, our main result means that, in a weak sense, any solution is attracted to a bounded set in the energy space, whatever the size of the initial datum. Moreover, we extend our main result to Hartree--Fock theory and to the linear many-body Schr"odinger equation for atoms.
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- Existence of Hartree-Fock excited states for atoms and molecules
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- Analytical and numerical studies in deterministic modeling of the states of ions and atoms
- The ionization problem
- On nonlinear Schrödinger equations with repulsive inverse-power potentials
- A nonlinear Schrödinger equation with Coulomb potential
- Blow-up of solutions to the Patlak-Keller-Segel equation in dimension \(\nu \geq 2\)
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- The maximal negative ion of the time-dependent Thomas-Fermi and the Vlasov atom
- Dispersive estimates for nonlinear Schrödinger equations with external potentials
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- Note on the kinetic energy inequality leading to Lieb's negative ionization upper bound
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