From fb354c80404a1203c8ffdd59c605aeb48e890b59 Mon Sep 17 00:00:00 2001 From: Bowy La Riviere <b.m.lariviere@student.tudelft.nl> Date: Fri, 8 Jan 2021 09:45:47 +0000 Subject: [PATCH] Added warm-up questions --- src/5_atoms_and_lcao.md | 7 +++++++ 1 file changed, 7 insertions(+) diff --git a/src/5_atoms_and_lcao.md b/src/5_atoms_and_lcao.md index 5f643f6f..d5f5c1cd 100644 --- a/src/5_atoms_and_lcao.md +++ b/src/5_atoms_and_lcao.md @@ -223,6 +223,13 @@ If each atom has 0 or 2 electrons in the outermost shell, the net electron force ## Exercises +### Warm-up questions +1. Is the assumption that the atomic orbitals are orthogonal always a reasonable assumption? +2. What happens if the hopping $t$ is chosen to be negative? +3. How does the size of the Hamiltonian matrix change with the number of atoms? +4. How does the size of the Hamiltonian matrix change if each atom now has two orbitals? +5. Assuming that we have two atoms with each a single orbital, what is the size of the Hamiltonian matrix if we also consider the spin of the electron? + ### Exercise 1: Shell-filling model of atoms 1. Describe the shell-filling model of atoms. -- GitLab