|
| | | | |
| | | |
| Stat |
Members: 3645
Articles: 2'503'724
Articles rated: 2609
23 April 2024 |
|
| | | | |
|
Article overview
| |
|
|
Constraints of reduced density-matrix functional theory for the two-dimensional homogeneous electron gas | | A. Putaja
; E. Rasanen
; | | Date: |
12 May 2011 | | Abstract: | Reduced density-matrix functional theory (RDMFT) has become an appealing
alternative to density-functional theory to describe electronic properties of
highly-correlated systems. Here we derive exact conditions for the suitability
of RDMFT to describe the two-dimensional homogeneous electron gas, which is the
base system for, e.g., semiconductor quantum dots and quantum Hall devices.
Following the method of Cioslowski and Pernal [J. Chem. Phys. {f 111}, 3396
(1999)] we focus on the properties of power functionals of the form $f(n,n’)=(n
n’)^alpha$ for the scaling function in the exchange-correlation energy. We
show that in order to have stable stable solutions, and for $f$ to satisfy the
homogeneous scaling constraint, the power is restricted to $1/4 leq alpha
leq 3/4$. Applying a reasonable ansatz for the momentum distribution and the
lower bound for the exchange-correlation energy tightens the physical regime
further to $0.64 lesssim alpha leq 0.75$. | | Source: | arXiv, 1105.2473 | | Services: | Forum | Review | PDF | Favorites | |
|
|
No review found.
Did you like this article?
Note: answers to reviews or questions about the article must be posted in the forum section.
Authors are not allowed to review their own article. They can use the forum section.
browser Mozilla/5.0 AppleWebKit/537.36 (KHTML, like Gecko; compatible; ClaudeBot/1.0; +claudebot@anthropic.com)
|
| |
|
|
|
|
News, job offers and information for researchers and scientists:
| |
REGISTER