Fig. 3.

(a) and (b) Gas phase spectra of CuPc computed within GGA and HSE xc-approximations, respectively. Gray areas show the full DOS, while the red (blue) line displays the DOS projected onto σ and π states. Symmetry labels of selected states are shown, the vertical black lines indicates the Fermi level. (c) Orbital images of the b_1g, a_1u, and e_g states, while panel (d) shows the corresponding momentum maps as described in the text. (For interpretation of the references to color in this figure legend, the reader is referred to the web version of this article.)