Computational Chemistry
The Hartree self-consistent field method
Lagrange method of undetermined multipliers
Proof of the Hartree equations
Numerical solution of the Hartree self-consistent field method for He
The angle between two vectors in spherical coordinates
The expansion of \(\frac{1}{r_{ij}}\) (the reciprocal of the inter-electron distance)
Analytical solution of the energy equation for He using the Hartree self-consistent field method
Properties of the antisymmetriser
Slater determinant of unitarily transformed spin orbitals
Slater-Condon rule for a one-electron operator
Slater-Condon rule for a two-electron operator
Proof of the Hartree-Fock equations
Canonical Hartree-Fock equations
Analytical solution of the energy equation for Li using the Hartree-Fock method
Analytical solutions of the Hartree-Fock method for Be, B and C
Solution of the Hartree-Fock-Roothaan equations for helium