REPORT DOCUMENTATION PAGEForm Aoved PIO( t O'l'ft l b..dtn tfo tlhsi cQIIeCOn 0 flIO rmatO,|o-estin*atro to a (verge I hour tponje• including the timc ot recviewing in t.uction. seta(Ching exq sinst gt dA a $Out(,, g14ther'*n O .14 antn~ n the data needed. And Cinplt elmtg and tev.€i *ng the QI1CCUen or i* .taon. S cnd (onment$ Aiedgdrnq this burden cisrt imt, 0 any other jS•p(t O0 th,.s collec'.o. of nIlor. At.On. nc:lud-mg S.ggetiOns 10, r ,educing this b cden. Experimental K-edge NEXAFS (near edge X-ray absorption fine structure) data for solid Ne are compared with theoretical results. Seven features in the experimental spectrum that are not reproduced by the theoretical results are found to be attributable to two-electron excitations. Five of them are usual one-center excitations, but the remaining two are found to be novel two-center excitations involving resonant orbitals as opposed to the usual bound orbitals. In contrast, twocenter, two-electron excitations involving only bound orbitals are found to be absent in the experimental spectrum.PACS numbers: 78.70.Dm, 32.30.Rj, 71.90.+qIn photo-absorption spectra, one-electron (l-e) excitations normally dominate the spectra for obvious reasons. Much weaker two-electron (2-e) shakeup excitations, nevertheless, have been observed in many atomic, molecular, and solid systems. In solids and molecules, these 2-e excitations can be either one-center ( Rehr and co-workers [6,7]. The input data for these calculations include the coordinates for 87 atoms (which form 6 shells with an fcc lattice constant of 4.463A [8]), the sample temperature (6.3K), the Debye temperature (66.0K) [9], and a choice for the self-energy as 3 described below. All other information, including the core lifetime, are internally provided by the code. We have performed full MS calculations incorporating the maximum number of paths that the code allows. In Ne solid, the inelastic mean free path of the photoelectrons is very long (>80,k) for electron energies less than 20eV but rapidly decreases to 20A above 30eV [10]. In order to include this large variation in the mean free path, we have performed two calculations, one without inelastic loss [theory (a)] and one with inelastic loss [theory (b)]. We employed the ground-state, exchange-correlation potential with a zero imaginary part for (a) and the complex Hedin-Lundquist self-energy for (b). Thus, the theoretical result (a) simulates the experimental spectrum below 30eV and (b), above 30eV. These sections of the spectra are indicated by solid lines in Fig. I and represent our theoretical spectrum.The sharpest peak (El) in the experimental solid Ne spectrum closely resembles the Is -+ 3 p excitation peak for gaseous Ne, so that peak E 1 has been attributed to the ls--*3pexciton [5]. The FEFF6 model is limited to an "extended" continuum spectrum above the Below we shall discuss the origins of those Di features.The structure comprising the D 3 -D 5 features is virtually identical to the structure observed in the NEXAFS of gaseous Ne [11] except for...