Related papers: Collisional S-Matrix for the Vibrational Dynamics …
Using time-resolved infrared-vacuum-ultraviolet double-resonance spectroscopy, experimental room temperature measurements of state-to-state rate coefficients for rotational energy transfer within the X $^1\Sigma^+(v=2)$ vibrational state of…
While the treatment of chemically relevant systems containing hundreds or even thousands of electrons remains beyond the reach of quantum devices, the development of quantum-classical hybrid algorithms to resolve electronic correlation…
In this article, we introduce an original hybrid quantum-classical algorithm based on a variational quantum algorithm for solving systems of differential equations. The algorithm relies on a spectral decomposition of the trial functions…
Hydrodynamic interactions in a suspension of spherical particles confined between two parallel planar walls are studied under creeping-flow conditions. The many-particle friction matrix in this system is evaluated using our novel numerical…
Using a quantum-mechanical close-coupling method, we calculate cross sections for fine structure excitation and relaxation of Si and S atoms in collisions with atomic hydrogen. Rate coefficients are calculated over a range of temperatures…
A system of two coupled quantum harmonic oscillators with the Hamiltonian ${\hat H}=\frac{1}{2}\left(\frac{1}{m_1}{\hat p}^{2}_1 + \frac{1}{m_2}{\hat p}^{2}_2+A x^2_1+B x^2_2+ C x_1 x_2\right)$ can be found in many applications of quantum…
We present an efficient quantum algorithm for simulating the evolution of a sparse Hamiltonian H for a given time t in terms of a procedure for computing the matrix entries of H. In particular, when H acts on n qubits, has at most a…
Complex quantum simulation workflows are often hindered by incompatible wavefunction representations adopted across different algorithmic frameworks. In particular, the mismatch between the first- and second-quantization formalisms prevents…
Quantum algorithms for electronic-structure simulations are actively being developed, yet many hybrid quantum-classical approaches are bottlenecked by the measurement overhead associated with large molecular Hamiltonians. Here we introduce…
During a crossover via a switching mechanism from one 2-body potential to another as might be applied in modeling (chemical) reactions in the vicinity of bond formation, energy violations would occur due to finite step size which determines…
In recent years, quantum computing has drawn significant interest within the field of high-energy physics. We explore the potential of quantum algorithms to resolve the combinatorial problems in particle physics experiments. As a concrete…
We present a quantum mechanical study of the diatomic hydrogen $H(^{2}S)$ and oxygen $O(^{3}P)$ collision and energy transfer for its four molecular symmetry $(X^{2}\Pi, ^{2}\Sigma^{-}, ^{4}\Pi, ^{4}\Sigma^{-})$, which is important for the…
Quantum computers have the potential to simulate chemical systems beyond the capability of classical computers. Recent developments in hybrid quantum-classical approaches enable the determinations of the ground or low energy states of…
The simulation of quantum dynamics on a digital quantum computer with parameterized circuits has widespread applications in fundamental and applied physics and chemistry. In this context, using the hybrid quantum-classical algorithm,…
Digital quantum computers provide a computational framework for solving the Schr\"{o}dinger equation for a variety of many-particle systems. Quantum computing algorithms for the quantum simulation of these systems have recently witnessed…
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…
The numerical emulation of quantum physics and quantum chemistry often involves an intractable number of degrees of freedom and admits no known approximation in general form. In practice, representing quantum-mechanical states using…
We present quantum algorithms for simulating the dynamics of a broad class of classical oscillator systems containing $2^n$ coupled oscillators (Eg: $2^n$ masses coupled by springs), including those with time-dependent forces, time-varying…
An $S$--matrix approach is developed for the chaotic dynamics of a nonlinear oscillator with dissipation. The quantum--classical crossover is studied in the framework of the semiclassical expansion for the $S$--matrix. Analytical…
A procedure for calculation of rotation-vibration states of medium sized molecules is presented. It combines the advantages of variational calculations and perturbation theory. The vibrational problem is solved by diagonalizing a…