cpmd and bomd

Sanjay Bharathwaj computatio... at gmail.com
Tue Nov 20 18:20:38 UTC 2012

Hello colleagues,

I am a beginner for molecular dynamics and working
to find the differences between BOMD and CPMD techniques.

Could anyone explain in simple words how do they differ
and especially the Hamiltonian and the plus and minus of each.

I would like to ask you all, if you have any worked out
example of doing MD manually for at least simple systems with 2-3 atoms
and if you can share with me, it helps me to understand the mathematics


Dr. Sanjay Bharathwaj Kumar,
Dharmendra Institute of Technology,
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