Explicit Green operators for quantum mechanical Hamiltonians. I: The hydrogen atom

DOI10.1007/S00229-011-0429-XzbMATH Open1229.35158arXiv1003.3150OpenAlexW2094250675MaRDI QIDQ634818FDOQ634818

B.-W. Schulze, G. Harutyunyan, Reinhold Schneider, Heinz-Jürgen Flad

Publication date: 16 August 2011

Published in: Manuscripta Mathematica (Search for Journal in Brave)

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.

Full work available at URL: https://arxiv.org/abs/1003.3150

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zbMATH Keywords

hydrogen atomGreen operatorsasymptotic behaviour of eigenfunctionsquantum mechanical Hamiltoniansingular pseudo-differential calculus

Mathematics Subject Classification ID

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)

Cites Work

• Elliptic mixed, transmission and singular crack problems
• Title not available (Why is that?)
• Pseudo-differential operators, singularities, applications
• AN OPERATOR GENERALIZATION OF THE LOGARITHMIC RESIDUE THEOREM AND THE THEOREM OF ROUCHÉ
• On the eigenfunctions of many-particle systems in quantum mechanics
• Title not available (Why is that?)
• Analysis of periodic Schrödinger operators: Regularity and approximation of eigenfunctions
• Title not available (Why is that?)
• Analytic structure of many-body Coulombic wave functions
• Sharp regularity results for Coulombic many-electron wave functions
• Local Properties of Solutions of Schrödinger Equations
• Asymptotic regularity of solutions to Hartree-Fock equations with Coulomb potential
• BestN-term approximation in electronic structure calculations. II. Jastrow factors
• BestN-term approximation in electronic structure calculations I. One-electron reduced density matrix
• Electron wavefunctions and densities for atoms
• Local properties of Coulombic wave functions

Cited In (16)

• Holomorphic operator families on a manifold with edge
• Explicit Green functions for spin–orbit Hamiltonians
• Estimates on derivatives of coulombic wave functions and their electron densities
• A comparison of the Georgescu and Vasy spaces associated to the \(N\)-body problems and applications
• Asymptotics in weighted corner spaces
• A unified treatment of the non-relativistic and relativistic hydrogen atom II: the Green functions
• A regularity result for the bound states of \(N\)-body Schrödinger operators: blow-ups and Lie manifolds
• Calculus on spaces with higher singularities
• Regularity for eigenfunctions of Schrödinger operators
• Asymptotic parametrices of elliptic edge operators
• Stratified spaces: joining analysis, topology and geometry. Abstracts from the workshop held December 11--17, 2011.
• The Mellin-edge quantisation for corner operators
• Explicit Green operators for quantum mechanical Hamiltonians. II. Edge-type singularities of the helium atom
• Mathematical methods in quantum chemistry. Abstracts from the workshop held March 18--24, 2018
• Title not available (Why is that?)
• Mellin Operators in Weighted Corner Spaces

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