Related papers: System-bath model for quantum chemistry
Quantum phase estimation (QPE) is a promising quantum algorithm for obtaining molecular ground-state energies with chemical accuracy. However, its computational cost, dominated by the Hamiltonian 1-norm $\lambda$ and the cost of the block…
We describe a path-integral approach for including nuclear quantum effects in non-adiabatic chemical dynamics simulations. For a general physical system with multiple electronic energy levels, a corresponding isomorphic Hamiltonian is…
Engineering and harnessing coherent excitonic transport in organic nanostructures has recently been suggested as a promising way towards improving man-made light harvesting materials. However, realising and testing the dissipative…
We discuss classical algorithms for approximating the largest eigenvalue of quantum spin and fermionic Hamiltonians based on semidefinite programming relaxation methods. First, we consider traceless $2$-local Hamiltonians $H$ describing a…
We propose a trajectory-based method for simulating nonadiabatic dynamics in molecular systems with two coupled electronic states. Employing a quantum-mechanically exact mapping of the two-level problem to a spin-1/2 coherent state, we…
We introduce a protocol for the fast simulation of $n$-dimensional quantum systems on $n$-qubit quantum computers with tunable couplings. A mapping is given between the control parameters of the quantum computer and the matrix elements of…
Efficient simulation of quantum mechanical problems can be performed in a quantum computer where the interactions of qubits lead to the realization of various problems possessing quantum nature. Spin-Boson Model (SBM) is one of the striking…
We present an efficient quantum algorithm for preparing a pure state on a quantum computer, where the quantum state corresponds to that of a molecular system with a given number $m$ of electrons occupying a given number $n$ of spin…
We extend our recently-developed heat-bath configuration interaction (HCI) algorithm, and our semistochastic algorithm for performing multireference perturbation theory, to the calculation of excited-state wavefunctions and energies. We…
We develop randomized quantum algorithms to simulate quantum collision models, also known as repeated interaction schemes, which provide a rich framework to model various open-system dynamics. The underlying technique involves composing…
We study a two-electron quantum dot molecule in a magnetic field by the direct diagonalization of the Hamiltonian matrix. The ground states of the molecule with the total spin S=0 and S=1 provide a possible realization for a qubit of a…
Based on the standard many-fermion field theory, the authors construct models describing ultracold fermions in a 1D optical lattices by implementing a mode expansion of the fermionic field operator where modes, in addition to space…
It is well known that any port-Hamiltonian (pH) system is passive, and conversely, any minimal and stable passive system has a pH representation. Nevertheless, this equivalence is only concerned with the input-output mapping but not with…
Modeling open quantum systems -- quantum systems coupled to a bath -- is of value in condensed matter theory, cavity quantum electrodynamics, nanosciences and biophysics. The real-time simulation of open quantum systems was advanced…
Quantum-mechanical correlations of interacting fermions result in the emergence of exotic phases. Magnetic phases naturally arise in the Mott-insulator regime of the Fermi-Hubbard model, where charges are localized and the spin degree of…
Heat-Bath Algorithmic Cooling is a set of techniques for producing highly pure quantum systems by utilizing a surrounding heat-bath and unitary interactions. These techniques originally used the thermal environment only to fully thermalize…
We present an approach that allows quantifying decoherence processes in an open quantum system subject to external time-dependent control. Interactions with the environment are modeled by a standard bosonic heat bath. We develop two…
A communication protocol is proposed in which quantum state transfer is mediated by a vibrational exciton. We consider two distant molecular groups grafted on the sides of a lattice. These groups behave as two quantum computers where the…
In the following, we study the dissipative time-evolution of a quantum chain consisting of three coupled harmonic oscillators, the first and third of which weakly interact quadratically with two independent thermal baths in equilibrium at…
We study a quantum ladder of interacting fermions with coupled s and p orbitals. Such a model describes dipolar molecules or atoms loaded into a double-well optical lattice, dipole moments being aligned by an external field. The two orbital…