Antonio Garzón

2 Questions 3 Answers 0 Followers

Questions related from Antonio Garzón

How do we calculate energies with multireference configuration interaction method in Gaussian 09?

I try to calculate the energy with multireference configuration interaction method of certain system using gaussian 09 packet, but I do not know what is the keyword.

01 January 2015 2,206 5 View

How can I build the representation of Hamiltonian in cylindrical coordinates by DVR?

I need to represent the Hamiltonian in cylindrical coordinates by DVR. I do not know how is the form in DVR to the part r*d2/dr2.

07 July 2014 3,772 2 View