Question: Write the electronic Hamiltonian operator, h, in atomic units for the S atom, H2, 02-, He2+ and CH4. (11 marks) (b) (i) Explain the naming

 Write the electronic Hamiltonian operator, h, in atomic units for the

Write the electronic Hamiltonian operator, h, in atomic units for the S atom, H2", 02-, He2+ and CH4. (11 marks) (b) (i) Explain the naming convention for the acronym 4-31++G(d,p). (5 marks) (ii) Name and discuss the main idea behind the oldest density functional. (3 marks) (iii) Explain the key idea behind the Kohn-Sham method. (3 marks) Write the electronic Hamiltonian operator, h, in atomic units for the S atom, H2", 02-, He2+ and CH4. (11 marks) (b) (i) Explain the naming convention for the acronym 4-31++G(d,p). (5 marks) (ii) Name and discuss the main idea behind the oldest density functional. (3 marks) (iii) Explain the key idea behind the Kohn-Sham method

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