Skip to content
Snippets Groups Projects

Learning goals

Merged Anton Akhmerov requested to merge learning_goals into master
Compare and Show latest version
1 file
+ 18
0
Compare changes
  • Side-by-side
  • Inline
+ 18
0
@@ -14,6 +14,14 @@ pi = np.pi
_(based on chapters 5–8 of the book)_
Exercises 5.2, 6.2, 6.3, 6.4, 6.5
!!! summary "Learning goals"
After this lecture you will be able to:
- Describe the shell-filling model of atoms
- Derive the LCAO model
- Obtain the spectrum of the LCAO model of several orbitals
## Looking back
So far we have:
@@ -133,6 +141,16 @@ An occupied $\psi_-$ increases the molecule energy as the atoms move closer ⇒
Therefore if each atom has a single electron in the outermost shell, these atoms attract, if there are 0 or 2 electrons, the net electron force cancels (but electrostatic repulsion remains).
*[LCAO]: Linear Combination of Atomic Orbitals
!!! summary "Learning goals"
After this lecture you will be able to:
- Explain the origins of interatomic forces
- Compute vibrational spectra of small molecules in 1D
- Write down Hamiltonians and equations of motion of bulk materials (but not yet solve them)
## Adding repulsion
If bringing two atoms closer would keep increasing energy, any covalent bond would collapse; eventually the two atoms must start repelling (at least when the nuclei get close, but really already much earlier).
Loading