Sum rules and bounds on the exchange and correlation energy functional of current-density functional theory
Physical Review B - Condensed Matter and Materials Physics Volume 65 Issue 19
Page 195122-1-195122-9
published_at 2002-05-10
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| File | |
| Title ( eng ) |
Sum rules and bounds on the exchange and correlation energy functional of current-density functional theory
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| Creator |
Higuchi Masahiko
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| Source Title |
Physical Review B - Condensed Matter and Materials Physics
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| Volume | 65 |
| Issue | 19 |
| Start Page | 195122-1 |
| End Page | 195122-9 |
| Abstract |
The exact expression for the exchange-correlation energy functional Exc[ρ,jp] of the current-density functional theory (CDFT) is derived by means of the coupling-constant integration technique. It contains the coupling-constant-averaged pair correlation function, which is a functional of the electron density ρ(r) and paramagnetic current density jp(r). On the basis of this expression, the local density approximation and its modifications for Exc[ρ,jp] are proposed within the CDFT. In addition, we present sum rules and bounds on Exc[ρ,jp] by considering the behaviors of the basic variables and Exc[ρ,jp] under the various types of the nonuniform coordinate scaling of electrons. They are useful in estimating the validity of the approximate forms of Exc[ρ,jp] proposed.
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| Language |
eng
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| Resource Type | journal article |
| Publisher |
American Physical Society
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| Date of Issued | 2002-05-10 |
| Rights |
Copyright (c) 2002 American Physical Society.
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| Publish Type | Version of Record |
| Access Rights | open access |
| Source Identifier |
[ISSN] 1098-0121
[DOI] 10.1103/PhysRevB.65.195122
[NCID] AA11187113
[DOI] http://dx.doi.org/10.1103/PhysRevB.65.195122
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