Uploaded June 2015 | Updated September 2026, 3 weeks ago
The central-field approximation is key to making Hartree's method practical when applied to atoms. Each electron satisfies an equation in a single radial variable and is characterized by a complete set of quantum numbers. Molecules lack spherical symmetry, however, so these advantages are lost when we try to extend Hartree's ideas to general molecules. Most importantly, we need a more rigorous statement of the Pauli exclusion principle and a way to enforce it.
Comments, including questions, suggestions and constructive criticism are always welcome.
The central-field approximation is key to making Hartree's method practical when applied to atoms. Each electron satisfies an equation in a single radial variable and is characterized by a complete set of quantum numbers. Molecules lack spherical symmetry, however, so these advantages are lost when we try to extend Hartree's ideas to general molecules. Most importantly, we need a more rigorous statement of the Pauli exclusion principle and a way to enforce it.
Comments, including questions, suggestions and constructive criticism are always welcome.
