Communication: Spin-free quantum computational simulations and symmetry adapted states

Autor(en)

James Daniel Whitfield

Abstrakt

The ideas of digital simulation of quantum systems using a quantum computer parallel the original ideas of numerical simulation using a classical computer. In order for quantum computational simulations to advance to a competitive point, many techniques from classical simulations must be imported into the quantum domain. In this article, we consider the applications of symmetry in the context of quantum simulation. Building upon well established machinery, we propose a form of first quantized simulation that only requires the spatial part of the wave function, thereby allowing spin-free quantum computational simulations. We go further and discuss the preparation of N-body states with specified symmetries based on projection techniques. We consider two simple examples, molecular hydrogen and cyclopropenyl cation, to illustrate the ideas. The methods here are the first to explicitly deal with preparing N-body symmetry-adapted states and open the door for future investigations into group theory, chemistry, and quantum simulation.

Organisation(en)

Quantenoptik, Quantennanophysik und Quanteninformation

Journal

Journal of Chemical Physics

Band

139

Anzahl der Seiten

4

ISSN

0021-9606

DOI

https://doi.org/10.1063/1.4812566

Publikationsdatum

07-2013

Peer-reviewed

Ja

ÖFOS 2012

103025 Quantenmechanik

Schlagwörter

Link zum Portal

https://ucrisportal.univie.ac.at/de/publications/b2c01d1c-f7df-4891-bf7e-599ffad6c1b4