Chem 156 3rd Long Exam -- November 17 2018

Edit Answers
12345678910111213141516171819202122232425262728293031
Across
  1. 5. Represents the electric field acting on an electron in the HF theory
  2. 8. Approximation of trial molecular wavefunctions using atomic wavefunctions
  3. 11. Integrals to correspond to direct interaction of electrons regardless of spin
  4. 13. Rules to limit evaluation to non-zero integrals of the N-electron wavefunctions
  5. 14. Results to the separability of the Hamiltonian per electron
  6. 17. Results to twice as many J integrals as there are K integrals
  7. 18. Approximations of STO basis functions using GTO basis functions
  8. 21. The process of obtaining the roots of a square matrix
  9. 22. Integrals to correspond to interaction of electrons that are dependent on spin
  10. 24. States that have indefinite lifetime are considered to be
  11. 25. field Method of refining the approximattion to the energy using interatively improved coefficients
  12. 27. Orbitals that have non-negative energies
  13. 28. Hamiltonian terms that relate to the energy of a single electron in an N-electron system
  14. 29. Coloumbic interaction not considered in the Born-Oppenheimer limit
  15. 31. In HF theory, the hamiltonian is exact but the wavefunctions are
Down
  1. 1. Systems where the Roothan-Hall equations are applicable
  2. 2. Correction method for the basis-set superposition error
  3. 3. The best trial energy that can be determined using HF theory over an infinite basis
  4. 4. HF electronic energies are in this state
  5. 6. Wavefunctions that result from an HF computation are said to be optimized and referred to as
  6. 7. Antisymmetric electronic wavefunction are represented this way in HF theory
  7. 9. Difference between Born-Oppenheimer limit and the HF limit is due to this
  8. 10. Used to find the set of coefficients for basis functions that produces the smallest energy
  9. 12. Electrons have antisymmetric wavefunctions because they are
  10. 15. Treatment of open-shell systems where optimizations are done over singly-occupied orbitals
  11. 16. Used to approximate slater-type orbitals
  12. 19. Identify to the weight of an atomic orbitals in the expansion of a wavefunction
  13. 20. Equations that describe the relationship of the Fock matrix to the energy
  14. 23. Only construct in the quantum mechanical formalism with no direct mechanical analogue
  15. 26. Basis sets were basis functions are contracted for the core electrons and non-contracted otherwise
  16. 30. Relates to the position of a nucleus inside an atomic electron density