In classical computational chemistry, the coupled-cluster ansatz is one of the most commonly used $ab~initio$ methods, which is critically limited by its non-unitary nature. The unitary modification as an ideal solution to the problem is, however, ex
tremely inefficient in classical conventional computation. Here, we provide the first experimental evidence that indeed the unitary version of the coupled cluster ansatz can be reliably performed in physical quantum system, a trapped ion system. We perform a simulation on the electronic structure of a molecular ion (HeH$^+$), where the ground-state energy surface curve is probed, energies of excited-states are studied and the bond-dissociation is simulated non-perturbatively. Our simulation takes advantages from quantum computation to overcome the intrinsic limitations in classical computation and our experimental results indicate that the method is promising for preparing molecular ground-states for quantum simulation.
We propose a geometric phase gate of two ion qubits that are encoded in two levels linked by an optical dipole-forbidden transition. Compared to hyperfine geometric phase gates mediated by electric dipole transitions, the gate has many interesting pr
operties, such as very low spontaneous emission rates, applicability to magnetic field insensitive states, and use of a co-propagating laser beam geometry. We estimate that current technology allows for infidelities of around 10$^{-4}$.
