Fig. 7
From: Periodic plane-wave electronic structure calculations on quantum computers
The 1 filled RHF orbital and 18 COVOs for the LiH molecule from periodic and aperiodic plane-wave FCI calculations are shown on the left and right panels respectively. The orbitals are displayed in the order of increasing orbital energy from left to right and bottom to top. The distance between two atoms at which the energy achieves its minimum is 1.6 Ã…Â for LiH. The positive and negative isosurfaces are colored in blue and orange respectively