Collisional S-Matrix for the Vibrational Dynamics of H+H2 by Quantum Computing

Abstract

An algorithm and a system of quantum circuits is developed and applied to compute accurately the S matrix for the transitions between vibrational states of H2 for collisions with H. The algorithm was applied to 100 eV laboratory collision energy at a quantum circuit simulator. The effects of the discretized dissociative continuum to the transition cross sections are carefully studied and accuracy and convergence of the results with the chosen parameters of the algorithm and the collision system are verified by comparison with a solution of the time-dependent Schrodinger equation using the classical algorithm as well as comparison with a few results from the literature.

21 pages, 12 figrues

References in corpus (4)

• Polynomial-time quantum algorithm for the simulation of chemical dynamics
• Quantum Simulation of Open Quantum Systems Using a Unitary Decomposition of Operators
• Ordering of Trotterization: Impact on Errors in Quantum Simulation of Electronic Structure
• Qubit-efficient encoding scheme for quantum simulations of electronic structure

Cited by in corpus (1)

• Quantum Simulation of Molecular Dynamics Processes -- A Benchmark Study Using Classical Simulator and Present-Day Quantum Hardware