CCL:G: What is the difference between ab inito and DFT?
- From: "fuji yama" <yamafuji6\a/yahoo.com>
- Subject: CCL:G: What is the difference between ab inito and
DFT?
Sent to CCL by: "fuji yama" [yamafuji6__yahoo.com]
Hello All,
Can you please tell me the difference between ab initio and DFT methods? It
seems for both the calculations people are using the same basis set and same
method (like B3Lyp). Can you please tell me how to do ab initio calculation in
g03? Please give me model inputfile, if possible. Thank you very much.
Fujiyama.