CCL:G: the difference between hamitonian and fock matrix

Dear Mr. Yao,
 I think You are missing the fact that the overlap matrix is non-identity one in
 real-world calculations because (at least for polyatomic molecules) the basis
 set is not completely orthogonal. Maybe for a single atom and minimal basis they
 would be equal (I think so but please correct me somebody if I am wrong).
 Best regards,
 Igors Mihailovs
 On 24 April 2021 05:56:21 EEST, "sw yao igors2003/a163.com"
 <owner-chemistry~~ccl.net> wrote:
 >
 >Sent to CCL by: "sw  yao" [igors2003(!)163.com]
 >I am doing the chemical reactivity study, molecular orbitals being
 >involved. Fock
 >matrix element was assumed the atomic orbital energy, the Hamitonian
 >plus
 >interaction with other electrons. Along this line, I believe, for any
 >one-electron
 >system, the Fock and Hamitonian should be identical. However, the two
 >turn out not
 >the saame: taking  hydrogen molecule ion as an example, calculated by
 >Gaussian, the
 >resultant Fock matrix is quite distinct from the Hamitonian. I do not
 >know where it
 >is wrong. Could anyone show me a way out?
 >S. Yao, igors2003:-:163.com
 >
 >
 >
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 Sent from my Android device with K-9 Mail. Please excuse my brevity.