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
Principles of Modern Chemistry
8th Edition
ISBN:9781305079113
Author:David W. Oxtoby, H. Pat Gillis, Laurie J. Butler
Publisher:David W. Oxtoby, H. Pat Gillis, Laurie J. Butler
Chapter6: Quantum Mechanics And Molecular Structure
Section: Chapter Questions
Problem 26P: Following the pattern of Figure 6.21, work out the correlation diagram for the BeN molecule, showing...
Related questions
Question
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
Expert Solution
This question has been solved!
Explore an expertly crafted, step-by-step solution for a thorough understanding of key concepts.
Step by step
Solved in 1 steps
Recommended textbooks for you
Principles of Modern Chemistry
Chemistry
ISBN:
9781305079113
Author:
David W. Oxtoby, H. Pat Gillis, Laurie J. Butler
Publisher:
Cengage Learning
Physical Chemistry
Chemistry
ISBN:
9781133958437
Author:
Ball, David W. (david Warren), BAER, Tomas
Publisher:
Wadsworth Cengage Learning,
Principles of Modern Chemistry
Chemistry
ISBN:
9781305079113
Author:
David W. Oxtoby, H. Pat Gillis, Laurie J. Butler
Publisher:
Cengage Learning
Physical Chemistry
Chemistry
ISBN:
9781133958437
Author:
Ball, David W. (david Warren), BAER, Tomas
Publisher:
Wadsworth Cengage Learning,