What information can we get from ADMP calculation using Gaussian 09W?

Partha Sarathi Sengupta @Dr_Partha_Sarathi_Sengupta

01 January 2017 1 9K Report

There are trajectories and times in fs data. What can we resolve from those data?

You mean Atom Centered Density Matrix Propagation?

As far as I know, ADMP is quite similar with Born-Oppenheimer molecular dynamics. There are very required for a study about interaction during simulation and electron transfer.

*correct me if i am wrong

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