Related papers: Lessons on electronic decoherence in molecules fro…
The time evolution of spin states of two electrons interacting with a nuclear spin bath in a quantum dot system is studied. The hyperfine interaction between the electrons and the nuclear spins is modeled by an isotropic Heisenberg…
Quantum coherence between electronic states of a photoionized molecule and the resulting process of ultrafast electron-hole migration have been put forward as a possible quantum mechanism of charge-directed reactivity governing the…
Density matrix embedding theory (Phys. Rev. Lett. 109, 186404 (2012)) and density embedding theory ((Phys. Rev. B 89, 035140 (2014)) have recently been introduced for model lattice Hamiltonians and molecular systems. In the present work,…
Complex molecules are intriguing objects at the interface between quantum and classical phenomena. Compared to the electrons, neutrons, or atoms studied in earlier matter-wave experiments, they feature a much more complicated internal…
In quantum simulation, many-body phenomena are probed in controllable quantum systems. Recently, simulation of Bose-Hubbard Hamiltonians using cold atoms revealed previously hidden local correlations. However, fermionic many-body Hubbard…
The decoherence induced on a single qubit by its interaction with the environment is studied. The environment is modelled as a scalar two-level boson system that can go through either first order or continuous excited state quantum phase…
Engineering quantum bath networks through non-Hermitian subsystem Hamiltonians has recently emerged as a promising strategy for qubit cooling, state stabilization, and fault-tolerant quantum computation. However, scaling these systems while…
The mechanism of decoherence for a quantum system with rotational degrees of freedom is studied. From a simple model of elastic scattering, we show that the non-diagonal density matrix elements of the system exponentially decay. The decay…
We show in detail how the Jordan-Wigner transformation can be used to simulate any fermionic many-body Hamiltonian on a quantum computer. We develop an algorithm based on appropriate qubit gates that takes a general fermionic Hamiltonian,…
The molecular Hubbard Hamiltonian (MHH) naturally arises for ultracold ground state polar alkali dimer molecules in optical lattices. We show that, unlike ultracold atoms, different molecules display different many-body phases due to…
Application of current and near-term quantum hardware to the electronic structure problem is highly limited by qubit counts, coherence times, and gate fidelities. To address these restrictions within the variational quantum eigensolver…
We present a universal expression for the electronic friction as felt by a set of classical nuclear degrees of freedom (DoF's) coupled to a manifold of quantum electronic DoF's; no assumptions are made regarding the nature of the electronic…
H\"uckel molecular orbital (HMO) theory provides a semi-empirical treatment of the electronic structure in conjugated {\pi}-electronic systems. A scalable system-agnostic execution of HMO theory on a quantum computer is reported here based…
The quantum mechanical motion of the atomic nuclei is considered over a single- or a multi-dimensional subspace of electronic states which is separated by a gap from the rest of the electronic spectrum over the relevant range of nuclear…
A finite-dimensional chemistry model with two two-level artificial atoms on quantum dots positioned in optical cavities, called the association-dissociation model of neutral hydrogen molecule, is described. The initial circumstances that…
The interplay between interactions and decoherence in many-body systems is of fundamental importance in quantum physics: Decoherence can degrade correlations, but can also give rise to a variety of rich dynamical and steady-state behaviors.…
Decoherence for a one-dimensional coupled-resonator waveguide with a two-level system inside one of resonators, induced by their interaction with corresponding environments, is investigated. Each environment is modeled as a continuum of…
We present a novel quantum-classical approach to non-adiabatic dynamics, deduced from the coupled electronic and nuclear equations in the framework of the exact factorization of the electron-nuclear wave function. The method is based on the…
Coupling to a thermal bath leads to decoherence of stored quantum information. For a system of Gaussian fermions, the fermionic analog of linear or Gaussian optics, these dynamics can be elegantly and efficiently described by evolution of…
Model calculations of nuclear properties are peformed using quantum computing algorithms on simulated and real quantum computers. The models are a realistic calculation of deuteron binding based on effective field theory, and a simplified…