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exercises:2016_ethz_mmm:single_point_calculation

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exercises:2016_ethz_mmm:single_point_calculation [2016/02/03 09:54] – external edit 127.0.0.1exercises:2016_ethz_mmm:single_point_calculation [2016/02/25 11:55] – [Computation of the Lennard Jones curve] sclelia
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 ====== Computation of the Lennard Jones curve ====== ====== Computation of the Lennard Jones curve ======
  
-In this exercise you will compute the Lennard-Jones energy curve for a system of two Ar atoms.\\+In this exercise you will compute the Lennard-Jones energy curve for a system of two Krypton atoms.\\
 In Part I you find the instructions for computing the energy of two Ar atoms at a distance $r=3.00 Å$.\\ In Part I you find the instructions for computing the energy of two Ar atoms at a distance $r=3.00 Å$.\\
 In Part II you find the instructions for getting the energy profile as a function of $r$.\\ In Part II you find the instructions for getting the energy profile as a function of $r$.\\
exercises/2016_ethz_mmm/single_point_calculation.txt · Last modified: 2020/08/21 10:15 by 127.0.0.1