MP2 potential energy surface of HeH2p
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MP2 potential energy surface of HeH2pAuthors: L.I. Vazquez-Salazar and M. MeuwlyThis 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. ContactFor any questions, please contact Markus Meuwly (m.meuwly@unibas.ch) or Luis Vazquez-Salazar (luisitza.vazquezsalazar@unibas.ch) ReferenceHorn, K. P., Vazquez-Salazar, L. I., Koch, C. P., & Meuwly, M. (2023). Improving Potential Energy Surfaces Using Experimental Feshbach Resonance Tomography. arXiv preprint arXiv:2309.16491.
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Zenodo创建时间：
2023-12-11
