TABLE VII.

Timings for a CVS-CC2/aug-cc-pVTZ calculation (1334 functions) for core excitations in pentacene, C₂₂H₁₄, D_2h symmetry, using the 16 cores of two Xeon E5-2609 v4 CPUs and 48 Gb RAM. ${\overline{M}}^f$ and ${\overline{N}}^{fi}$ are Lagrange multipliers needed for transition moments for ground-to-excited and excited-to-excited state transitions (cf. Ref. 239), respectively.

Equations	Core holes	Wall time (s/iter.)
Ground state equations	0	24
Eigenvalue equations	0	18
Eigenvalue equations	1	23
Equations for ${\overline{M}}^f$	0	14
Equations for ${\overline{M}}^f$	1	(Vanishes)
Equations for ${\overline{N}}^{fi}$	0 → 0 or 1 → 1	22
Equations for ${\overline{N}}^{fi}$	0 → 1	(Vanishes)
Equations for ${\overline{N}}^{fi}$	1 → 0	24