Deterministic quantum mechanics: The role of the Maxwell–Boltzmann distribution

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Büchel, R.C.; Rudolph, D.A.; Frank, I.: Deterministic quantum mechanics: The role of the Maxwell–Boltzmann distribution. In: International Journal of Quantum Chemistry 121 (2021), Nr. 7, e26555. DOI: https://doi.org/10.1002/qua.26555

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Sum total of downloads: 30




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To be accepted by the community, the claim that nuclear motion has to be treated classically must be tested for all kinds of phenomena. For the moment we claim that in a quantum chemical calculation, a classical description of nuclear motion is superior to the use of the Schrödinger equation, and investigate how far we get with this statement. In the present paper we address the question what nuclear quantum statistics means in this context. We will show that the Maxwell–Boltzmann velocity distribution evolves quickly in any molecular dynamics simulation and this guarantees the physically correct behavior of molecular systems. Using first-principles molecular dynamics simulations, or more precisely Car–Parrinello molecular dynamics, we investigate what this means for Bose-Einstein condensates and for Cooper pairs. It turns out that our approach can explain all relevant phenomena. As a consequence, we can introduce a deterministic formulation of quantum mechanics and can get rid of all the paradoxa in traditional quantum mechanics. The basic idea is to treat electrons and nuclei differently.
License of this version: CC BY 4.0 Unported
Document Type: Article
Publishing status: publishedVersion
Issue Date: 2021
Appears in Collections:Naturwissenschaftliche Fakultät

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1 image of flag of Germany Germany 15 50.00%
2 image of flag of United States United States 12 40.00%
3 image of flag of Russian Federation Russian Federation 1 3.33%
4 image of flag of Iran, Islamic Republic of Iran, Islamic Republic of 1 3.33%
5 image of flag of United Kingdom United Kingdom 1 3.33%

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