(Q62112499)

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Orbital electron densities of ethane: Comparison of electron momentum spectroscopy measurements with near Hartree–Fock limit and density functional theory calculations

scientific article published on 8 September 2002

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Orbital electron densities of ethane: Comparison of electron momentum spectroscopy measurements with near Hartree–Fock limit and density functional theory calculations (English)

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main subject

density functional theory

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H. Deng

5

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J. K. Deng

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1

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G. Q. Li

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2

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X. D. Wang

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3

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J. D. Huang

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4

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C. G. Ning

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Y. Wang

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Y. Zheng

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8

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English

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publication date

8 September 2002

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published in

Journal of Chemical Physics

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volume

117

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issue

10

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page(s)

4839-4845

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Investigation of orbital momentum profiles of methylpropane (isobutane) by binary (e,2e) spectroscopy

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21 January 2018

Assessment of Kohn-Sham density-functional orbitals as approximate Dyson orbitals for the calculation of electron-momentum-spectroscopy scattering cross sections

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21 January 2018

Accurate and simple density functional for the electronic exchange energy: Generalized gradient approximation

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21 January 2018

Density-functional exchange-energy approximation with correct asymptotic behavior

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21 January 2018

Self‐Consistent Molecular‐Orbital Methods. I. Use of Gaussian Expansions of Slater‐Type Atomic Orbitals

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21 January 2018

Gaussian basis sets for use in correlated molecular calculations. I. The atoms boron through neon and hydrogen

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21 January 2018

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DOI

10.1063/1.1498816

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(Q62112499)

Orbital electron densities of ethane: Comparison of electron momentum spectroscopy measurements with near Hartree–Fock limit and density functional theory calculations

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