Hartree-Fock molecular orbital calculations for complicated systems use an itera

Question

Hartree-Fock molecular orbital calculations for complicated systems use an iterative 'SCF' method that eventually reaches an unchanging set of orbital energies and wavefunctions. The term SCF stands for a) solutions by complex factors b) self-contained functions c) self-consistent field d) solutions containing f-orbitals. Kelly uses the variation method to determine the ground state energy of helium and finds a solution of -86.0 eV. The measured ground state energy is -79.0 eV. Which statement is correct? a) The results are valid because the calculated value is greater than or equal t to the ground state energy. b) The results are not correct because variational method energies must have positive values. c) The results are valid because the calculated value might be an excited state energy. d) The results are not correct because the calculated value cannot be lower than the ground state energy. Which of these molecular orbitals has uneven, or ungerade, symmetry? Note Positive phase is black negative phase is white. Consider the covalent bond formed between the two hydrogen atoms to form H_2. The phi_1 atomic orbitals from each hydrogen atom combine to form a sigma bond that is delocalized over the molecule. Which trial wavefunction accurately represents that used in, molecular orbital theory?

Explanation / Answer

Ans 6 C. Self consistent field

Hartree fock method is also known as self consistent field method . It finds a typical application in the schrodinger equation for atoms, molecules, etc and also used in nuclear physics.

The method is appropriate to find the wavefunction ans energy of quantum body systems in stationary system.

Related Questions

Navigate

• Browse (All)
• Browse H
• Subjects

---

---

Integrity-first tutoring: explanations and feedback only — we do not complete graded work. Learn more.