Consider the following statements about basis functions. The diagonal elements in the overlap matrix are unity and the rest can be non-zero as atomic orbitals on different atoms are not orthogonal to each other. Gaussian type orbitals reproduce the nuclear cusp at the origin Gaussian orbitals decay too quickly compared to real atomic orbitals STO-nG basis functions are linear combinations of Slater functions used to reproduce the shape of real atomic orbitals Which of the following is correct? a. D is false, B and C are true b.A is false, B and D are true c. D is false, A and C are true d. B is false and A and D are true e. B, C and D are
Consider the following statements about basis functions. The diagonal elements in the overlap matrix are unity and the rest can be non-zero as atomic orbitals on different atoms are not orthogonal to each other. Gaussian type orbitals reproduce the nuclear cusp at the origin Gaussian orbitals decay too quickly compared to real atomic orbitals STO-nG basis functions are linear combinations of Slater functions used to reproduce the shape of real atomic orbitals Which of the following is correct? a. D is false, B and C are true b.A is false, B and D are true c. D is false, A and C are true d. B is false and A and D are true e. B, C and D are
Chemistry
10th Edition
ISBN:9781305957404
Author:Steven S. Zumdahl, Susan A. Zumdahl, Donald J. DeCoste
Publisher:Steven S. Zumdahl, Susan A. Zumdahl, Donald J. DeCoste
Chapter1: Chemical Foundations
Section: Chapter Questions
Problem 1RQ: Define and explain the differences between the following terms. a. law and theory b. theory and...
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Consider the following statements about basis functions.
- The diagonal elements in the overlap matrix are unity and the rest can be non-zero as atomic orbitals on different atoms are not orthogonal to each other.
- Gaussian type orbitals reproduce the nuclear cusp at the origin
- Gaussian orbitals decay too quickly compared to real atomic orbitals
- STO-nG basis functions are linear combinations of Slater functions used to reproduce the shape of real atomic orbitals
Which of the following is correct?
- a. D is false, B and C are true
- b.A is false, B and D are true
- c. D is false, A and C are true
- d. B is false and A and D are true
- e. B, C and D are
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