Elimination of Coulomb finite-size effects in quantum many-body simulations
نویسندگان
چکیده
منابع مشابه
Finite size errors in quantum many { body simulations of extendedsystemsP
Further developments are introduced in the theory of nite size errors in quantum many{body simulations of extended systems using periodic boundary conditions. We show that our recently introduced Model Periodic Coulomb interaction A. J. Williamson et al., Phys. Rev. B 55, R4851 (1997)] can be applied consistently to all Coulomb interactions in the system. The Model Periodic Coulomb interaction ...
متن کاملSimulations of Many-Body Quantum Systems by a Quantum Computer
We suggest that quantum computers can solve quantum many-body problems that are impracticable to solve on a classical computer. The classical many-body problem has been largely solved by the classical computer. For example the position of the planets in the solar system can now be predicted with an accuracy as great as the accuracy of the observations. On the other hand, quantum many-body probl...
متن کاملFinite-size effects in simulations of nucleation.
We investigate the importance of finite-size effects in simulations of nucleation processes. Most molecular dynamics simulations of first order phase transitions, such as vapor-liquid nucleation, are performed in the canonical NVT ensemble where, owing to the fixed total number of molecules N, the growth of the new phase causes the depletion of the metastable phase. This effect may lead to sign...
متن کاملRandom phase approximation and the finite size errors in many body simulations
We address the problem of finite size errors on the energy computed in quantum Monte Carlo simulations. We introduce a scheme based on the random phase approximation that, within a single calculation, allows to retrieve the leading order correction and produces practically converged results for modest numbers of particles. Applications to the electron gas and silicon are presented.
متن کاملFinite-size error in many-body simulations with long-range interactions.
We discuss the origin of the finite-size error of the energy in many-body simulation of systems of charged particles and we propose a correction based on the random-phase approximation at long wavelengths. The correction is determined mainly by the collective charge oscillations of the interacting system. Finite-size corrections, both on kinetic and potential energy, can be calculated within a ...
متن کاملذخیره در منابع من
با ذخیره ی این منبع در منابع من، دسترسی به آن را برای استفاده های بعدی آسان تر کنید
ژورنال
عنوان ژورنال: Physical Review B
سال: 1997
ISSN: 0163-1829,1095-3795
DOI: 10.1103/physrevb.55.r4851