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 127.0.0.1 | exercises: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 |
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