quantum-mechanical simulation tagged posts

A two-dimensional slice of the potential energy surface for the K + KRb reaction.The reaction proceeds from right to left. In the intermediate region a deep well is clearly visible which leads to chaotic motion. Credit: Los Alamos National Laboratory

Researchers have performed the 1st ever quantum-mechanical simulation of the benchmark ultracold chemical reaction between potassium-rubidium (KRb) and a potassium atom, opening the door to new controlled chemistry experiments and quantum control of chemical reactions that could spark advances in quantum computing and sensing technologies. The research by a multi-institutional team simulated the ultracold chemical reaction, with results that had not been revealed in experiments.

“We found that the overall reactivity is largely insensitive to t...