MP2 potential energy surface of HeH2p

<p><strong>MP2 potential energy surface of HeH2p</strong><br><br>Authors: L.I. Vazquez-Salazar and M. Meuwly<br><br>This repository contains the data to construct the potential energy surface at MP2 level with the basis set aug-cc-pVTZ for the HeH_{2}^{+} system obtained with the MOLPRO software. Inside the folder, detailed instructions are available.</p><p><strong>Contact</strong><br><br>For any questions, please contact &nbsp;Markus Meuwly (m.meuwly@unibas.ch) or Luis Vazquez-Salazar (luisitza.vazquezsalazar@unibas.ch)&nbsp;<br><br><br><strong>Reference</strong><br>Horn, K. P., Vazquez-Salazar, L. I., Koch, C. P., &amp; Meuwly, M. (2023). Improving Potential Energy Surfaces Using Experimental Feshbach Resonance Tomography. arXiv preprint arXiv:2309.16491.</p>