Recent content by Morten

Thanks!

It's a constitution of a ket

Why does a time-dependent perturbed Hamiltonian commonly have diagonal elements equal to zero?

The thing was, Ralph indicated strongly the action of setting the derivate equal to zero in that expression but this was postponed to later on in the book as I just read, that was what confused me. For this I am sorry

In the chapter 9-5 "The Linear Variation Method" p. 363 from the book: Basic Principles and Techniques of Molecular Quantum Mechanics by Ralph Christoffersen, the first thing he does is to minimize the energy, E = c†Hc/c†Sc, by requiring its derivative with respect to the...

Thank you

Thank you. I refer to "Basic Principles and Techniques of Molecular Quantum Mechanics" by Ralph E. Christoffersen, p. 445 + 483 footnotes, when I write: "something that is claimed to be equivalent in general I think".

Thank you, but the thing is if the summation runs from i<j instead of i,j, something that is claimed to be equivalent in general I think, then the factor is omitted, and I am not sure how this is so.

I am not sure why a factor of (½) appears in front of the summation over orbitals, i, j to N, of the Coulomb and exchange integrals in the HF energy expectation value.

Thank you :)

Thank you very much

I study chemistry at SDU (University of Southern Denmark) with interest in computational quantum chemistry.