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| Main Authors: | , |
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| Format: | Preprint |
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2026
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| Online Access: | https://arxiv.org/abs/2602.14548 |
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| _version_ | 1866910049010450432 |
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| author | Pilon, H Olivares Turbiner, A V |
| author_facet | Pilon, H Olivares Turbiner, A V |
| contents | A comparison of the {\it ab initio} calculations using the i-DMFT Method by Di Liu et al. (2025) with benchmark potential curves for three HX(F,Cl,Br) halides shows their inaccuracy in the domain around equilibrium - they do not reproduce quantitatively the results of the Born-Oppenheimer approximation - and also they predict a qualitatively wrong behavior in the Van der Waals region of large distances, thus, contradict the multipole expansion. |
| format | Preprint |
| id |
arxiv_https___arxiv_org_abs_2602_14548 |
| institution | arXiv |
| publishDate | 2026 |
| record_format | arxiv |
| spellingShingle | Potential Energy Curves of Hydrogenic Halides HX(F,Cl,Br) and i-DMFT Method Pilon, H Olivares Turbiner, A V Chemical Physics Materials Science A comparison of the {\it ab initio} calculations using the i-DMFT Method by Di Liu et al. (2025) with benchmark potential curves for three HX(F,Cl,Br) halides shows their inaccuracy in the domain around equilibrium - they do not reproduce quantitatively the results of the Born-Oppenheimer approximation - and also they predict a qualitatively wrong behavior in the Van der Waals region of large distances, thus, contradict the multipole expansion. |
| title | Potential Energy Curves of Hydrogenic Halides HX(F,Cl,Br) and i-DMFT Method |
| topic | Chemical Physics Materials Science |
| url | https://arxiv.org/abs/2602.14548 |