The system (an all-electron model) was described by the Kohn-Sham scheme of the density-functional theory within the local density approximation for the electron exchange-correlation (Perdew-Zunger parametrization). The equations were solved in a ball of radius r=12 surrounding the molecule, Dirichlet boundary conditions, self-consistent iteration, approximately 300 000 quadratic elements and 400 000 node points. The 180 lowest eigenvalues (energies E in Hartree units) of C60 are listed below.
- Eigenmodes 1- 60, E=-9.800
- Eigenmodes 61, E=-0.901
- Eigenmodes 62- 64, E=-0.882
- Eigenmodes 65- 69, E=-0.846
- Eigenmodes 70- 72, E=-0.809
- Eigenmodes 73- 76, E=-0.779
- Eigenmodes 77- 81, E=-0.732
- Eigenmodes 82- 85, E=-0.715
- Eigenmodes 86- 90, E=-0.659
- Eigenmodes 91- 93, E=-0.654
- Eigenmodes 94- 96, E=-0.619
- Eigenmodes 97-101, E=-0.579
- Eigenmodes 102-104, E=-0.570
- Eigenmodes 105, E=-0.565
- Eigenmodes 106-109, E=-0.519
- Eigenmodes 110-114, E=-0.489
- Eigenmodes 115-117, E=-0.482
- Eigenmodes 118-120, E=-0.462
- Eigenmodes 121, E=-0.460
- Eigenmodes 122-125, E=-0.438
- Eigenmodes 126-128, E=-0.434
- Eigenmodes 129-133, E=-0.416
- Eigenmodes 134-137, E=-0.403
- Eigenmodes 138-142, E=-0.397
- Eigenmodes 143-145, E=-0.391
- Eigenmodes 146-149, E=-0.374
- Eigenmodes 150-152, E=-0.348
- Eigenmodes 153-157, E=-0.337
- Eigenmodes 158-161, E=-0.330
- Eigenmodes 162-166, E=-0.325
- Eigenmodes 167-171, E=-0.271
- Eigenmodes 172-175, E=-0.267
- Eigenmodes 176-180, E=-0.224