Quantum Simulation of Helium Hydride Cation in a Solid-State Spin Register
Venue
ACS Nano, vol. 9 (2015), 7769–7774
Publication Year
2015
Authors
Ya Wang, Florian Dolde, Jacob Biamonte, Ryan Babbush, Ville Bergholm, Sen Yang, Ingmar Jakobi, Philipp Neumann, Alán Aspuru-Guzik, James Whitfield, Jörg Wrachtrup
BibTeX
Abstract
Ab initio computation of molecular properties is one of the most promising
applications of quantum computing. While this problem is widely believed to be
intractable for classical computers, efficient quantum algorithms exist which have
the potential to vastly accelerate research throughput in fields ranging from
material science to drug discovery. Using a solid-state quantum register realized
in a nitrogen-vacancy (NV) defect in diamond, we compute the bond dissociation
curve of the minimal basis helium hydride cation, HeH+. Moreover, we report an
energy uncertainty (given our model basis) of the order of 1e–14 hartree, which is
10 orders of magnitude below the desired chemical precision. As NV centers in
diamond provide a robust and straightforward platform for quantum information
processing, our work provides an important step toward a fully scalable solid-state
implementation of a quantum chemistry simulator.
