Related papers: N-Mode Quantized Anharmonic Vibronic Hamiltonians …
The Density Matrix Renormalization Group (DMRG) method has become a prominent tool for simulating strongly correlated electronic systems characterized by dominant static correlation effects. However, capturing the full scope of electronic…
We have implemented the single-site density matrix renormalization group algorithm for the variational optimization of SU(2) \times U(1) (spin and particle number) invariant matrix product states for general spin and particle number…
We present a quantum algorithm based on repeated measurement to solve initial-value problems for nonlinear ordinary differential equations (ODEs), which may be generated from partial differential equations in plasma physics. We map a…
Many physical and chemical processes in the condensed phase environment exhibit non-Markovian quantum dynamics. As such simulations are challenging on classical computers, we developed a variational quantum algorithm that is capable of…
We present a comprehensive second quantization scheme for radiative photonic devices. We canonically quantize the continuum of photonic eigenmodes by transforming them into a discrete set of pseudomodes that provide a \textit{complete} and…
Most quantum tomographic methods can only be used for one-dimensional problems. We show how to infer the quantum state of a non-relativistic N-dimensional harmonic oscillator system by simple inverse Radon transforms. The procedure is…
A variational calculation of the energy levels of a class of PT-invariant quantum mechanical models described by the non-Hermitian Hamiltonian H= p^2 - (ix)^N with N positive and x complex is presented. Excellent agreement is obtained for…
We consider a system of N non-relativistic spinless quantum particles (``electrons'') interacting with a quantized scalar Bose field (whose excitations we call ``photons''). We examine the case when the velocity v of the electrons is small…
We describe and demonstrate a method for the computation of quantum dynamics on small, noisy universal quantum computers. This method relies on the idea of `restarting' the dynamics; at least one approximate time step is taken on the…
Obtaining accurate representations of the eigenstates of an array of coupled superconducting qubits is a crucial step in the design of circuit quantum electrodynamics (QED)-based quantum processors. However, exact diagonalization of the…
Artificial neural networks have been recently introduced as a general ansatz to compactly represent many- body wave functions. In conjunction with Variational Monte Carlo, this ansatz has been applied to find Hamil- tonian ground states and…
The Hamiltonian of an isolated quantum mechanical system determines its dynamics and physical behaviour. This study investigates the possibility of learning and utilising a system's Hamiltonian and its variational thermal state estimation…
Starting from the study of one-dimensional potentials in quantum mechanics having a small distance behavior described by a harmonic oscillator, we extend this way of analysis to models where such a behavior is not generally expected. In…
We address the nonadiabatic quantum dynamics of macrosystems with several coupled electronic states, taking into account the possibility of multi-state conical intersections. The general situation of an arbitrary number of states and…
Based on the Renormalization Group method, a reduction of non integrable multi-dimensional hamiltonian systems has been performed. The evolution equations for the slowly varying part of the angle-averaged phase space density, and for the…
Efficient sampling from ensembles of Hamiltonian cycles is critical for predicting the thermodynamic properties of compact polymers, with applications including modeling protein and RNA folding and designing soft materials. Although…
Utilizing quantum computer to investigate quantum chemistry is an important research field nowadays. In addition to the ground-state problems that have been widely studied, the determination of excited-states plays a crucial role in the…
There has been a problem of gauge ambiguities with the Rabi Hamiltonian due to the fact that it can be derived from two formally different but physically equivalent fundamental Hamiltonians. This problem has recently been resolved for…
Quantum computation of vibrational properties of molecules is a promising platform to obtain computational advantages for computational chemistry. However, fault-tolerant quantum computations of vibrational properties remain a relatively…
Vibrational energy transfer of the amide I mode of N-methylacetamide (NMA) is studied theoretically using the vibrational configuration interaction method. A quartic force field of NMA is constructed at the B3LYP/6-31G+(d) level of theory…