Quantum Mechanics 11e - Chemistry V
Δημοσιεύτηκε στις 17 Ιουν 2015
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.
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.
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