(Q57526351)

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Convergence of the multicenter B-spline DFT approach for the continuum

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Convergence of the multicenter B-spline DFT approach for the continuum (English)

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D Toffoli

1

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Mauro Stener

object named as

M Stener

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2

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Piero Decleva

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4

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P Decleva

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author name string

G Fronzoni

series ordinal

3

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publication date

January 2002

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published in

Chemical Physics

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volume

276

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issue

1

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page(s)

25-43

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cites work

The Removal of the Muffin-Tin Approximation and Use of Self-Consistent-Field Electron Densities for Calculating theK-Edge X-Ray Absorption Near-Edge Structure of Chlorine

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https://api.crossref.org/works/10.1016%2FS0301-0104%2801%2900549-3

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7 January 2021

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Valence photoionization of C6H6 by the B-spline one-centre expansion density functional method

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7 January 2021

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Study of the Electronic Structure of Ni(eta(5)-C(5)H(5))(NO) by Variable-Photon-Energy Photoelectron Spectroscopy and Density Functional Calculations

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https://api.crossref.org/works/10.1016%2FS0301-0104%2801%2900549-3

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7 January 2021

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Exchange-correlation potential with correct asymptotic behavior

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7 January 2021

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Density functional calculations of photoionization with an exchange-correlation potential with the correct asymptotic behaviour

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7 January 2021

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Convergence of the density functional one-centre expansion for the molecular continuum: N 2 and (CH 3 ) 3 N

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https://api.crossref.org/works/10.1016%2FS0301-0104%2801%2900549-3

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7 January 2021

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Time-dependent density functional calculations of molecular photoionization cross sections: N2 and PH3

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https://api.crossref.org/works/10.1016%2FS0301-0104%2801%2900549-3

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7 January 2021

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Variable-Energy Photoelectron Spectroscopy of (eta(5)-C(5)H(5))NiNO: Molecular Orbital Assignment and Xalpha-SW Calculations

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https://api.crossref.org/works/10.1016%2FS0301-0104%2801%2900549-3

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7 January 2021

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Multichannel Schwinger study of C 1s photoionization of acetylene

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reference URL

https://api.crossref.org/works/10.1016%2FS0301-0104%2801%2900549-3

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7 January 2021

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DOI

10.1016/S0301-0104(01)00549-3

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(Q57526351)

Convergence of the multicenter B-spline DFT approach for the continuum

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