Improved lower bound on the indirect Coulomb energy

Elliott H. Lieb; Stephen Oxford

doi:10.1002/qua.560190306

Improved lower bound on the indirect Coulomb energy

Elliott H. Lieb, Stephen Oxford

Mathematics

Research output: Contribution to journal › Article › peer-review

405 Scopus citations

Abstract

For a Coulomb system of particles of charge e, it has previously been shown that the indirect part of the repulsive Coulomb energy (exchange plus correlation energy) has a lower bound of the form –Ce^2/3∫ρ(x)^4/3 dx, where ρ is the single particle charge density. Here we lower the constant C from the 8.52 previously given to 1.68. We also show that the best possible C is greater than 1.23.

Original language	English (US)
Pages (from-to)	427-439
Number of pages	13
Journal	International Journal of Quantum Chemistry
Volume	19
Issue number	3
DOIs	https://doi.org/10.1002/qua.560190306
State	Published - Mar 1981

All Science Journal Classification (ASJC) codes

Atomic and Molecular Physics, and Optics
Condensed Matter Physics
Physical and Theoretical Chemistry

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10.1002/qua.560190306

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abstract = "For a Coulomb system of particles of charge e, it has previously been shown that the indirect part of the repulsive Coulomb energy (exchange plus correlation energy) has a lower bound of the form –Ce2/3∫ρ(x)4/3 dx, where ρ is the single particle charge density. Here we lower the constant C from the 8.52 previously given to 1.68. We also show that the best possible C is greater than 1.23.",

author = "Lieb, {Elliott H.} and Stephen Oxford",

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AB - For a Coulomb system of particles of charge e, it has previously been shown that the indirect part of the repulsive Coulomb energy (exchange plus correlation energy) has a lower bound of the form –Ce2/3∫ρ(x)4/3 dx, where ρ is the single particle charge density. Here we lower the constant C from the 8.52 previously given to 1.68. We also show that the best possible C is greater than 1.23.

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JF - International Journal of Quantum Chemistry

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ER -

Improved lower bound on the indirect Coulomb energy

Abstract

All Science Journal Classification (ASJC) codes

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