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Rate of convergence of the configuration interaction model for the helium ground state

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Goddard, Benjamin D. (2009) Rate of convergence of the configuration interaction model for the helium ground state. SIAM Journal on Mathematical Analysis, Vol.41 (No.1). pp. 77-116. doi:10.1137/080727956

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Official URL: http://dx.doi.org/10.1137/080727956

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Abstract

The rate of convergence of a CI calculation on the ground state of the helium atom is rigorously derived under suitable assumptions on the regularity of the exact wavefunction. For bases consisting of all partial waves with angular momentum less than or equal to L, the large L asymptotic energies are found to obey the well-known formula E-L - E = CL-3 + o(L-3), where C is an explicit constant defined in terms of the exact wavefunction.

Item Type: Journal Article
Subjects: Q Science > QA Mathematics
Divisions: Faculty of Science > Mathematics
Journal or Publication Title: SIAM Journal on Mathematical Analysis
Publisher: Society for Industrial and Applied Mathematics
ISSN: 0036-1410
Official Date: 2009
Dates:
DateEvent
2009Published
Volume: Vol.41
Number: No.1
Number of Pages: 40
Page Range: pp. 77-116
DOI: 10.1137/080727956
Status: Peer Reviewed
Publication Status: Published
Access rights to Published version: Restricted or Subscription Access
Funder: Engineering and Physical Sciences Research Council (EPSRC)

Data sourced from Thomson Reuters' Web of Knowledge

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