Physical Chemistry
2nd Edition
ISBN: 9781133958437
Author: Ball, David W. (david Warren), BAER, Tomas
Publisher: Wadsworth Cengage Learning,
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Chapter 12, Problem 12.50E
Interpretation Introduction
(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.
Interpretation Introduction
(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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The physical interpretation of the wavefunction and the fact that it is a solution of the Schroedinger equation, which is a 2nd order differential equation, causes many restrictions on an acceptable wave function solution: (i) it must be single-valued; (ii) it must be continuous; (iii) its slope must be continuous; and (iv) it must be normalizable or normalized. Sketch the following functions and check whether they can be wave functions. Explain your answers. (Hint, it might be useful to plot the functions).
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Chapter 12 Solutions
Physical Chemistry
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