Dear all, SInce the last few days, I have been trying to produce pseudo wave function for Silicon in the ground state. However, I am always getting wrong pseudopotential for 3d orbital. I have found out via some research papers and books that the configuration used for Silicon is in excited state. It would be a pleasure if I could get more information about the ground state pseudopotential generation of silicon especially the 3d orbital.
Thanking you Yours sincerely, Harshit Bharti Visvesvaraya National Institute of Technology, Nagpur
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