Velocity Distribution function of molecule at low temperature

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Generating initial velocities for classical molecular dynamics simulations using the Maxwell distribution becomes ineffective at low temperatures. There is a suggestion to consider the Fermi-Dirac distribution to account for quantum effects in these scenarios. A provided link offers additional insights on the topic, particularly on page 11. The discussion also touches on how to close threads, noting that moderators typically handle that, and activity will naturally decline once questions are resolved. Overall, the conversation centers on adapting simulation techniques for low-temperature conditions.
aihaike
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Dear all,

In classical molecular dynamics simulation initial velocities are generated using the so called Maxwell distribution.
At low temperature it's no longer effective, so I'm wandering whether there is a similar way to generate velocities at low temperature taking into account quantum effects, like using the Fermi-dirac distribution ?

Thank you,

Éric.
 
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http://www.ecse.rpi.edu/~schubert/Course-ECSE-6968%20Quantum%20mechanics/Ch13%20Semiconductor%20statistics.pdf

^I think you may find the answer you're looking for on page 11. Hope it helps!
 
Last edited by a moderator:
interesting link, thank you.

How to close the thread?
 
Last edited:
Not sure, I think mods do that. In any case, eventually, people will stop answering once a question has been answered, so it falls off the page pretty quickly.
 

Thread 'Two equivalent statements of time reversal symmetric Hamiltonian'

Time reversal invariant Hamiltonians must satisfy ##[H,\Theta]=0## where ##\Theta## is time reversal operator. However, in some texts (for example see Many-body Quantum Theory in Condensed Matter Physics an introduction, HENRIK BRUUS and KARSTEN FLENSBERG, Corrected version: 14 January 2016, section 7.1.4) the time reversal invariant condition is introduced as ##H=H^*##. How these two conditions are identical?
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