Hydrides
HLi |
HB |
HC |
HN |
HO |
HF |
HNa |
HAl |
HSi |
HP |
HS |
HCl |
*Click on images to view variation with internuclear separation
These images were created by finding the electron density predicted by a CASSCF wavefunction
using the vqz basis set.
Heavier atoms have s,p,d orbital symmetries- H atoms have only s and p.
Difference plots show the values found by subtracting the non-interacting atoms electron densities from the molecules density.
Bond lengths are reported in angstroms. In all images hydrogen is on the right and the heavier atoms is on the left.
In all contour plots, red is an increase in electron density relative to the atoms and blue is a decrease, and green is zero.The "RGB" convention. All plots were made with Plotmtv.
How to create an animation