Imaging the wave functions of adsorbed molecules
Abstract
In quantum mechanics, the electrons in a molecule are described by a mathematical object termed the wave function or molecular orbital. This function determines the chemical and physical properties of matter and consequently there has been much interest in measuring orbitals, despite the fact that strictly speaking they are not quantum-mechanical observables. We show how the amplitude and phase of orbitals can be measured in good agreement with wave functions from ab initio calculations. Not only do such measurements allow wave functions of complex molecules and nanostructures to be determined, they also open up a window into critical discussions of theoretical orbital concepts.
- Publication:
-
Proceedings of the National Academy of Science
- Pub Date:
- January 2014
- DOI:
- 10.1073/pnas.1315716110
- Bibcode:
- 2014PNAS..111..605L