Optimal multiconfiguration approximation of an Nfermion wave function
Abstract
We propose a simple iterative algorithm to construct the optimal multiconfiguration approximation of an Nfermion wave function. Namely, M ≥N singleparticle orbitals are sought iteratively so that the projection of the given wave function in the C_{M}^{N}dimensional configuration subspace is maximized. The algorithm has a monotonic convergence property and can be easily parallelized. The significance of the algorithm on the study of geometric entanglement in a multifermion system and its implication on the multiconfiguration timedependent HartreeFock (MCTDHF) are discussed. The ground state and realtime dynamics of spinless fermions with nearestneighbor interaction are studied using this algorithm, discussing several subtleties.
 Publication:

Physical Review A
 Pub Date:
 January 2014
 DOI:
 10.1103/PhysRevA.89.012504
 arXiv:
 arXiv:1309.1848
 Bibcode:
 2014PhRvA..89a2504Z
 Keywords:

 31.15.ve;
 03.67.Mn;
 Electron correlation calculations for atoms and ions: ground state;
 Entanglement production characterization and manipulation;
 Quantum Physics;
 Condensed Matter  Materials Science;
 Condensed Matter  Strongly Correlated Electrons;
 Mathematical Physics
 EPrint:
 12 pages, 7 figures. Any comment is welcome and appreciated