2nd Edition

ISBN: 9781133958437

Author: Ball, David W. (david Warren), BAER, Tomas

Publisher: Wadsworth Cengage Learning,

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Quantum chemistry deals with the properties of chemical systems and their reactions. The branch of chemistry which is more concerned with quantum chemistry is physical chemistry. It is a more sophisticated field of theoretical physics which is concerned …

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Textbook Question

Chapter 12, Problem 12.48E

Consider a real system. Assume that a real wavefunction is a combination of two orthogonal functions such that H 11 = − 15 , H 22 = − 4 , and H 12 = H 21 = − 2.5 (arbitrary energy units). Assume S 11 = S 22 = 1 and S 12 = S 21 = 0 . (a)Evaluate the approximate energies of the real system and evaluate the coefficients of the expansion ϕ a = c a , 1 Ψ 1 + c a , 2 Ψ 2 . (b) Compare your answer to the answers in exercise 12.12 and comment.

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Chapter 12, Problem 12.47E

Chapter 12, Problem 12.49E

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Chapter 12 Solutions

Physical Chemistry

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Solution Summary: The author evaluates the approximate energies of the real system and the coefficients for the expansion. Variation theory provides more accurate energy values for a particular system.

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