Physics – Condensed Matter – Strongly Correlated Electrons
Scientific paper
2011-10-08
Physics
Condensed Matter
Strongly Correlated Electrons
7 pages, 4 figures, submitted to Physical Review B
Scientific paper
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.
Attaccalite Claudio
Rubio Angel
Sorella Sandro
Stella Lorenzo
No associations
LandOfFree
Strong electronic correlation in the Hydrogen chain: a variational Monte Carlo study does not yet have a rating. At this time, there are no reviews or comments for this scientific paper.
If you have personal experience with Strong electronic correlation in the Hydrogen chain: a variational Monte Carlo study, we encourage you to share that experience with our LandOfFree.com community. Your opinion is very important and Strong electronic correlation in the Hydrogen chain: a variational Monte Carlo study will most certainly appreciate the feedback.
Profile ID: LFWR-SCP-O-497641