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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

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

Physical Chemistry
Physical Chemistry
2nd Edition
ISBN:9781133958437
Author:Ball, David W. (david Warren), BAER, Tomas
Publisher:Ball, David W. (david Warren), BAER, Tomas
Chapter12: Atoms And Molecules
Section: Chapter Questions
Problem 12.24E: a Construct Slater determinant wavefunctions for Be and B. Hint: Although you need only include one...
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Consider the following statements about basis functions.

  1. 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.
  2. Gaussian type orbitals reproduce the nuclear cusp at the origin
  3. Gaussian orbitals decay too quickly compared to real atomic orbitals
  4. 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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