Figure 1 (IMAGE)

DOE/Brookhaven National Laboratory

Figure 1

Caption

In calculating the potential energy surface of the chemical reaction of H2 ;+ D2 → 2HD, the new algorithm (green diamonds) outperforms the previous algorithm (orange squares) in finding the most accurate solution (blue line).

Credit

Title: Geometric quantum adiabatic methods for quantum chemistry Journal: Physical Review Research DOI:https://doi.org/10.1103/PhysRevResearch.4.033045 Authors: Hongye Yu (余泓烨), Deyu Lu, Qin Wu, and Tzu-Chieh We

Usage Restrictions

Distribution of this work must maintain attribution to the author(s) and the published article's title, journal citation, and DOI.

License

Original content

Disclaimer: AAAS and EurekAlert! are not responsible for the accuracy of news releases posted to EurekAlert! by contributing institutions or for the use of any information through the EurekAlert system.