Variational wave functions, ground state and their overlap
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 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)