中文

Variational wave functions, ground state and their overlap

统计力学 2007-07-26 v2

摘要

An intrinsic measure of the quality of a variational wave function is given by its overlap with the ground state of the system. We derive a general formula to compute this overlap when quantum dynamics in imaginary time is accessible. The overlap is simply related to the area under the E(τ)E(\tau) curve, i.e. the energy as a function of imaginary time. This has important applications to, for example, quantum Monte-Carlo algorithms where the overlap becomes as a simple byproduct of routine simulations. As a result, we find that the practical definition of a good variational wave function for quantum Monte-Carlo simulations, {\it i.e.} fast convergence to the ground state, is equivalent to a good overlap with the actual ground state of the system.

关键词

引用

@article{arxiv.cond-mat/0703004,
  title  = {Variational wave functions, ground state and their overlap},
  author = {Christophe Mora and Xavier Waintal},
  journal= {arXiv preprint arXiv:cond-mat/0703004},
  year   = {2007}
}

备注

4 pages, 2 figures, to be published in Phys. Rev. Lett. (revised version)