| | |
| | |
Stat |
Members: 3643 Articles: 2'488'730 Articles rated: 2609
29 March 2024 |
|
| | | |
|
Article overview
| |
|
Strong electronic correlation in the Hydrogen chain: a variational Monte Carlo study | Lorenzo Stella
; Claudio Attaccalite
; Sandro Sorella
; Angel Rubio
; | Date: |
8 Oct 2011 | Abstract: | In this article, we report a fully ab initio variational Monte Carlo study of
the linear, and periodic chain of Hydrogen atoms, a prototype system providing
the simplest example of strong electronic correlation in low dimensions. In
particular, we prove that numerical accuracy comparable to that of benchmark
density matrix renormalization group calculations can be achieved by using a
highly correlated Jastrow-antisymmetrized geminal power variational wave
function. Furthermore, by using the so-called "modern theory of polarization"
and by studying the spin-spin and dimer-dimer correlations functions, we have
characterized in details the crossover between the weakly and strongly
correlated regimes of this atomic chain. Our results show that variational
Monte Carlo provides an accurate and flexible alternative to highly correlated
methods of quantum chemistry which, at variance with these methods, can be also
applied to a strongly correlated solid in low dimensions close to a crossover
or a phase transition. | Source: | arXiv, 1110.1746 | 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 claudebot
|
| |
|
|
|
| News, job offers and information for researchers and scientists:
| |