In addition, each electron will be affected, normally repelled, by the electrostatic field of all the electrons on all the other atoms. Each atom has one electron, so the total energy of an electron, i.e., the diagonal Fock matrix element, is given by:
F(1,1) = -51.7124+1/2(12.848)+2(9.6585+7.0635)+6.3622
The Fock matrix is obtained by adding the two-electron terms to the one electron matrix. The elements of the Fock matrix represent the sum of the one and two electron interactions. For the system of six hydrogen atoms, this has the following form:
Atom | 1 | 2 | 3 | 4 | 5 | 6 |
1 | -5.4823 | |||||
2 | -3.2457 | -5.4823 | ||||
3 | -1.0970 | -3.2457 | -5.4823 | |||
4 | -0.6992 | -1.0970 | -3.2457 | -5.4823 | ||
5 | -1.0970 | -0.6992 | -1.0970 | -3.2457 | -5.4823 | |
6 | -3.2457 | -1.0970 | -0.6992 | -1.0970 | -3.2457 | -5.4823 |