Zobrazeno 1 - 10
of 26 483
pro vyhledávání: '"BORN-Oppenheimer approximation"'
Autor:
Fiechter, Marit R.1 (AUTHOR) jeremy.richardson@phys.chem.ethz.ch, Richardson, Jeremy O.1 (AUTHOR)
Publikováno v:
Journal of Chemical Physics. 5/14/2024, Vol. 160 Issue 18, p1-12. 12p.
We address the question of the reliability of the Born-Oppenheimer (BO) approximation for a mass-imbalanced resonant three-body system embedded in noninteger dimensions. We address this question within the problem of a system of currently experimenta
Externí odkaz:
http://arxiv.org/abs/2408.01776
Autor:
Angelico, Sara1 (AUTHOR), Haugland, Tor S.1 (AUTHOR), Ronca, Enrico2 (AUTHOR), Koch, Henrik1,3 (AUTHOR) henrik.koch@ntnu.no
Publikováno v:
Journal of Chemical Physics. 12/7/2023, Vol. 159 Issue 21, p1-9. 9p.
We present an ab initio method for computing vibro-polariton and phonon-polariton spectra of molecules and solids coupled to the photon modes of optical cavities. We demonstrate that if interactions of cavity photon modes with both nuclear and electr
Externí odkaz:
http://arxiv.org/abs/2407.14613
Autor:
Ansermet, J.‐ Ph.1 (AUTHOR) jean-philippe.ansermet@epfl.ch, Maschke, Klaus1 (AUTHOR), Reuse, François1 (AUTHOR)
Publikováno v:
Israel Journal of Chemistry. Dec2022, Vol. 62 Issue 11/12, p1-12. 12p.
Autor:
Härkönen, Ville J.
We compute the ab-initio electron density beyond the Born-Oppenheimer approximation in crystalline LiH and LiD with density functional methods. We report significant beyond Born-Oppenheimer corrections to electron density in the vicinity of nuclei eq
Externí odkaz:
http://arxiv.org/abs/2312.07411
Autor:
Härkönen, Ville J.
Hydrogen has been the subject of intense research following the discovery of high-temperature superconductivity in hydrides, and as a result of continuous efforts to produce solid hydrogen. The Born-Oppenheimer approximation is the central piece of t
Externí odkaz:
http://arxiv.org/abs/2311.06114
Autor:
Fromager, Emmanuel, Lasorne, Benjamin
Publikováno v:
2024 Electron. Struct
This work presents an alternative, general, and in-principle exact extension of electronic Kohn-Sham density functional theory (KS-DFT) to the fully quantum-mechanical molecular problem. Unlike in existing multi-component or exact-factorization-based
Externí odkaz:
http://arxiv.org/abs/2312.15080
Autor:
Wagner, Marc
I discuss the investigation of heavy exotic mesons using lattice QCD static potentials and the Born-Oppenheimer approximation. I summarize selected recent results for $\bar{b} \bar{b} q q$ tetraquarks, for $I = 0$ bottomonium and for $I = 1$ bottomon
Externí odkaz:
http://arxiv.org/abs/2308.04530
Autor:
Lu, Yao1 (AUTHOR), Wu, Qiang1 (AUTHOR) wuqiang@nankai.edu.cn, Xiong, Hao1 (AUTHOR), Zhou, Xu1 (AUTHOR), Li, Zhixuan1 (AUTHOR), Qi, Jiwei1 (AUTHOR) qijw@nankai.edu.cn, Xu, Xitan1 (AUTHOR), Ma, Ruobin1 (AUTHOR), Fan, Jiang1 (AUTHOR), Chen, Zhigang1 (AUTHOR) zgchen@nankai.edu.cn, Xu, Jingjun1 (AUTHOR) jjxu@nankai.edu.cn
Publikováno v:
Communications Physics. 11/23/2022, Vol. 5 Issue 1, p1-8. 8p.