Irmgard Frank

Prof. Irmgard Frank

Leibniz University Hannover, Hanover, Germany
orcid

Research Focus & Metrics

Academic Career Length

20Years (2007-Present)

(Calculated once Scilit publication data is synced: current year − year of first publication + 1)

Representative Publications

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23 April 2010 in Chemistry – A European Journal
Verified
Journal Article
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FHFlorian Hofbauer
Florian Hofbauer
IFIrmgard Frank
Irmgard Frank

14 June 2010 in Chemphyschem
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Journal Article
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SRShaila Rössle
Shaila Rössle
JFJana Friedrichs
Jana Friedrichs
IFIrmgard Frank
Irmgard Frank

30 October 2012 in Chemistry – A European Journal
Verified
Journal Article
Closed access
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FHFlorian Hofbauer
Florian Hofbauer
IFIrmgard Frank
Irmgard Frank

7 December 2020 in International Journal of Quantum Chemistry
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Journal Article
Open access
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RBRalf C. Büchel
Ralf C. Büchel
DRDominik A. Rudolph
Dominik A. Rudolph
IFIrmgard Frank
Irmgard Frank
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.

1 October 2007 in The Journal of Physical Chemistry B
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Journal Article
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SGS. Grimm
S. Grimm
DTD. Tabatabai
D. Tabatabai
ASA. Scherer
A. Scherer
JMJens Michaelis
Jens Michaelis
IFIrmgard Frank
Irmgard Frank

8 December 2011 in Chemistry – A European Journal
Verified
Journal Article
Closed access
PDF file
FHFlorian Hofbauer
Florian Hofbauer
IFIrmgard Frank
Irmgard Frank