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The development of new exchange-correlation functionals

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The development of new exchange-correlation functionals (English)

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David J. Tozer

1

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Nicholas C. Handy

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2

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English

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publication date

8 February 1998

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published in

Journal of Chemical Physics

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volume

108

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issue

6

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page(s)

2545-2555

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cites work

Note on Exchange Phenomena in the Thomas Atom

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21 January 2018

Density-functional exchange-energy approximation with correct asymptotic behavior

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

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21 January 2018

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

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21 January 2018

Exchange‐correlation potentials

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21 January 2018

Exchange-correlation functionals from ab initio electron densities

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21 January 2018

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

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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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Exact hydrogenic density functionals

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Exact exchange functional for the hydrogen atom

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Exact exchange-only potentials and the virial relation as microscopic criteria for generalized gradient approximations

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21 January 2018

Toward understanding the exchange-correlation energy and total-energy density functionals

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21 January 2018

An Accurate Quantum Monte Carlo Calculation of the Barrier Height for the Reaction H + H2 rarr H2 + H.

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Density-functional theory using an optimized exchange-correlation potential

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21 January 2018

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DOI

10.1063/1.475638

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(Q60211122)

The development of new exchange-correlation functionals

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