(Q60211016)

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The importance of the asymptotic exchange-correlation potential in density functional theory

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The importance of the asymptotic exchange-correlation potential in density functional theory (English)

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main subject

density functional theory

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DAVID J. TOZER

1

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author name string

NICHOLAS C. HANDY

series ordinal

2

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publication date

10 September 2003

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published in

Molecular Physics

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volume

101

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issue

17

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page(s)

2669-2675

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cites work

Density-functional exchange-energy approximation with correct asymptotic behavior

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https://api.crossref.org/works/10.1080%2F0026897031000094443

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21 January 2018

Development of the Colle-Salvetti correlation-energy formula into a functional of the electron density

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reference URL

https://api.crossref.org/works/10.1080%2F0026897031000094443

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21 January 2018

Accurate and simple analytic representation of the electron-gas correlation energy

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reference URL

https://api.crossref.org/works/10.1080%2F0026897031000094443

retrieved

21 January 2018

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

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reference URL

https://api.crossref.org/works/10.1080%2F0026897031000094443

retrieved

21 January 2018

Density-Functional Theory for Fractional Particle Number: Derivative Discontinuities of the Energy

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https://api.crossref.org/works/10.1080%2F0026897031000094443

retrieved

21 January 2018

Improving virtual Kohn–Sham orbitals and eigenvalues: Application to excitation energies and static polarizabilities

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https://api.crossref.org/works/10.1080%2F0026897031000094443

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21 January 2018

Does density functional theory contribute to the understanding of excited states of unsaturated organic compounds?

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https://api.crossref.org/works/10.1080%2F0026897031000094443

retrieved

21 January 2018

The asymptotic exchange potential in Kohn–Sham theory

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https://api.crossref.org/works/10.1080%2F0026897031000094443

retrieved

21 January 2018

Generalized Gradient Approximation Made Simple

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reference URL

https://api.crossref.org/works/10.1080%2F0026897031000094443

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21 January 2018

Density-functional thermochemistry. III. The role of exact exchange

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https://api.crossref.org/works/10.1080%2F0026897031000094443

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21 January 2018

Development and assessment of new exchange-correlation functionals

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reference URL

https://api.crossref.org/works/10.1080%2F0026897031000094443

retrieved

21 January 2018

From electron densities to Kohn-Sham kinetic energies, orbital energies, exchange-correlation potentials, and exchange-correlation energies

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reference URL

https://api.crossref.org/works/10.1080%2F0026897031000094443

retrieved

21 January 2018

The development of new exchange-correlation functionals

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reference URL

https://api.crossref.org/works/10.1080%2F0026897031000094443

retrieved

21 January 2018

Emphasizing the exchange-correlation potential in functional development

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reference URL

https://api.crossref.org/works/10.1080%2F0026897031000094443

retrieved

21 January 2018

Eigenvalues, integer discontinuities and NMR shielding constants in Kohn—Sham theory

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reference URL

https://api.crossref.org/works/10.1080%2F0026897031000094443

retrieved

21 January 2018

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DOI

10.1080/0026897031000094443

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(Q60211016)

The importance of the asymptotic exchange-correlation potential in density functional theory

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