Concept explainers
(a)
Interpretation:
The secular determinant for a system that is described in terms of four ideal wavefunctions is to be stated.
Concept introduction:
Variation theory states that the average energy of any wavefunction for a given system is equal to or greater than its ground-state energy. It provides more accurate value of energy for a particular system. It is used to find the approximate solutions to the Schrödinger equation.
(b)
Interpretation:
The explanation of the complexity of a secular determinant as the number of ideal wavefunctions increases is to be stated. The number of
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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Chapter 12 Solutions
Physical Chemistry
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- Physical ChemistryChemistryISBN:9781133958437Author:Ball, David W. (david Warren), BAER, TomasPublisher:Wadsworth Cengage Learning,