Concept explainers
(a)
Interpretation:
The approximate energies of the real system are to be evaluated if
Concept introduction:
The secular determinant is used to solve the linear variation theory. The secular determinant is formed by the energy, overlap integrals and the energy eigenvalues. The energy of a given system is minimized by taking the secular determinant equal to zero.
(b)
Interpretation:
The approximate energies of the real system are to be evaluated if
Concept introduction:
The secular determinant is used to solve the linear variation theory. The secular determinant is formed by the energy, overlap integrals and the energy eigenvalues. The energy of a given system is minimized by taking the secular determinant equals to zero.
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Physical Chemistry
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