Matter Modeling Asked by Roman Korol on December 13, 2021
Taking into account the fact that the theory of quantum gravity does not exist and the QED calculations are not possible for most realistic chemical systems, what levels of accuracy can we expect from a theoretical calculation on simple (small) materials? Examples that come to mind are:
1420405751767(1) mHz (present most accurate experiment)
142045199 mHz (present most accurate theory)
The error in the theory is due to the difficulty in treating the nuclear structure (2 up quarks + 1 down).
4463302780(050) Hz (present most accurate experiment)
4463302880(550) Hz (present most accurate theory)
Why does it agree so well? μ$^+$ is a fundamental particle and therefore has no nuclear structure. QED is the correct theory for describing the interaction between pure electric charges (e$^-$ and μ$^+$). The only QFD (quantum flavordynamics) needed is for the electro-weak interaction between the particles (not for interactions within sub-nuclear particles), and QFD calculations were done here in anticipation of more accurate experiments to come.
6739701177(0016) Hz (present most accurate experiment)
6739699930(1700) Hz (present most accurate theory)
Notice how much harder it is when you add an electron.
14903.632061014(5003) cm^-1 (present most accurate experiment)
14903.631765(0006670) cm^-1 (present most accurate theory)
43487.15940(18) cm^-1 (present most accurate experiment)
43487.1590(080) cm^-1 (present most accurate theory)
76192.64(0060) cm^-1 (present most accurate experiment)
76192.699(007) cm^-1 (present most accurate theory)
Notice that theory is 1 order of magnitude more accurate than experiment!!!
35999.582834(11) cm^-1 (present most accurate experiment)
35999.582820(26) cm^-1 (present most accurate theory)
See here for more info.
4161.16632(18) cm^-1 (present most accurate experiment)
4161.16612(90) cm^-1 (present most accurate theory)
Answered by Nike Dattani on December 13, 2021
2 Asked on December 23, 2020 by tristan-maxson
0 Asked on December 11, 2020
geometry optimization nanoparticles quantum espresso software recommendations structure
1 Asked on December 5, 2020 by anibal-bezerra
0 Asked on October 21, 2020 by andrew-rosen
1 Asked on September 26, 2020 by achintha-ihalage
1 Asked on August 19, 2020 by shahid-sattar
1 Asked on August 11, 2020 by user14717
ab initio calculations density functional theory diffusion monte carlo software visualization software
Get help from others!
Recent Questions
Recent Answers
© 2023 AnswerBun.com. All rights reserved. Sites we Love: PCI Database, UKBizDB, Menu Kuliner, Sharing RPP