|
| | | | |
| | | |
| Stat |
Members: 3645
Articles: 2'501'711
Articles rated: 2609
19 April 2024 |
|
| | | | |
|
Article overview
| |
|
|
Measuring orbital interaction using quantum information theory | | J. Rissler
; R.M. Noack
; S.R. White
; | | Date: |
22 Aug 2005 | | Subject: | Strongly Correlated Electrons | cond-mat.str-el | | Abstract: | Quantum information theory gives rise to a straightforward definition of the interaction of electrons $I_{p,q}$ in two orbitals $p$, $q$ for a given many-body wave function. A convenient way to calculate the von Neumann entropies needed is presented in this work, and the orbital interaction $I_{p,q}$ is successfully tested for different types of chemical bonds. As an example of an application of $I_{p,q}$ beyond the interpretation of wave functions, $I_{p,q}$ is then used to investigate the ordering problem in the density-matrix renormalization group. | | Source: | arXiv, cond-mat/0508524 | | 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