From 7aa5d487f2b1ca7f2f3955ac2a01414de6f941b2 Mon Sep 17 00:00:00 2001 From: "T. van der Sar" <t.vandersar@tudelft.nl> Date: Thu, 24 Feb 2022 22:34:13 +0000 Subject: [PATCH] Update 5_atoms_and_lcao.md - edit ex. 3 --- docs/5_atoms_and_lcao.md | 2 +- 1 file changed, 1 insertion(+), 1 deletion(-) diff --git a/docs/5_atoms_and_lcao.md b/docs/5_atoms_and_lcao.md index b247165f..b15f5d74 100644 --- a/docs/5_atoms_and_lcao.md +++ b/docs/5_atoms_and_lcao.md @@ -394,7 +394,7 @@ Which term needs to be added to the Hamiltonian of each electron? Compute the LCAO Hamiltonian of the system in presence of the electric field. What are the new onsite energies of the two orbitals? #### Question 3. -Diagonalize the modified LCAO Hamiltonian. Find the ground state wavefunction $ψ$. +Diagonalize the modified LCAO Hamiltonian. Find the ground state wavefunction $ψ$. Note: for simplicity assume that the electric field is small, such that $\gamma \ll t$, with $\gamma = e d \mathcal{E}/2$. #### Question 4. Find the polarization $P$ of the molecule in the ground state. -- GitLab