Explicit Green operators for quantum mechanical Hamiltonians. I: The hydrogen atom
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Publication:634818
hydrogen atomGreen operatorsasymptotic behaviour of eigenfunctionsquantum mechanical Hamiltoniansingular pseudo-differential calculus
Asymptotic distributions of eigenvalues in context of PDEs (35P20) Closed and approximate solutions to the Schrödinger, Dirac, Klein-Gordon and other equations of quantum mechanics (81Q05) Pseudodifferential operators as generalizations of partial differential operators (35S05) Pseudodifferential and Fourier integral operators on manifolds (58J40)
Abstract: We study a new approach to determine the asymptotic behaviour of quantum many-particle systems near coalescence points of particles which interact via singular Coulomb potentials. This problem is of fundamental interest in electronic structure theory in order to establish accurate and efficient models for numerical simulations. Within our approach, coalescence points of particles are treated as embedded geometric singularities in the configuration space of electrons. Based on a general singular pseudo-differential calculus, we provide a recursive scheme for the calculation of the parametrix and corresponding Green operator of a nonrelativistic Hamiltonian. In our singular calculus, the Green operator encodes all the asymptotic information of the eigenfunctions. Explicit calculations and an asymptotic representation for the Green operator of the hydrogen atom and isoelectronic ions are presented.
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Cited in
(20)- Holomorphic operator families on a manifold with edge
- Explicit Green operators for quantum mechanical Hamiltonians. II: Edge-type singularities of the helium atom
- Estimates on derivatives of coulombic wave functions and their electron densities
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- Asymptotic behavior of eigenvalues of hydrogen atom equation
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