Polynomial-time quantum algorithm for the simulation of chemical dynamics.

ABSTRACT: The computational cost of exact methods for quantum simulation using classical computers grows exponentially with system size. As a consequence, these techniques can be applied only to small systems. By contrast, we demonstrate that quantum computers could exactly simulate chemical reactions in polynomial time. Our algorithm uses the split-operator approach and explicitly simulates all electron-nuclear and interelectronic interactions in quadratic time. Surprisingly, this treatment is not only more accurate than the Born-Oppenheimer approximation but faster and more efficient as well, for all reactions with more than about four atoms. This is the case even though the entire electronic wave function is propagated on a grid with appropriately short time steps. Although the preparation and me

SUBMITTER: Kassal I 

PROVIDER: S-EPMC2596249 | biostudies-literature | 2008 Dec

REPOSITORIES: biostudies-literature