(a) Molecular orbital diagram of the valence orbitals of NH3. (b) Corresponding spatial orbital representations generated with GAUSSIAN 03 15 for the four valence orbitals. The diagram shows the 3a 1 highest occupied molecular orbital is anti-bonding with p-like character. The 1e 1 state is doubly degenerate, consisting of two molecular orbitals with p-like character. By contrast, the 2a 1 HOMO-2 state has s-like character.
Schematic diagram of the scattering geometry. A coplanar geometry is defined when the momenta of the incident and scattered electrons lie in the detection plane (ψ = 0°). The analyzer angles ξ1 and ξ2 are measured with respect to the projection of the incident electron momentum in this plane. A perpendicular geometry is defined when the incident electron momentum is orthogonal to the detection plane (ψ = 90°).
TDCS from the 3a 1 HOMO state of ammonia for coplanar symmetric kinematics. The energies of the outgoing electrons are shown in the respective plots. The experimental data (dots) and results from the molecular three-body distorted wave approximation (lines) are shown. The experimental and theoretical data have been independently normalised to unity at the peak for each energy.
As for Figure 3 , for the 1e 1 HOMO-1 state of NH3.
TDCS for orbitals with p-like character from the iso-electronic series CH4, 27 NH3, and Ne. 25 For each target results for two energies are given: the top row gives data for outgoing electron energies of 20 eV, while the bottom row shows data with outgoing energies of 5 eV. At left is the TDCS for the 1t 1 HOMO state of CH4, the middle columns show results from the 3a 1 and 1e 1 states of NH3, and the right column gives data from the 2p state of Ne. The experimental data are compared to distorted wave theoretical predictions; M3DW for the molecular targets and 3DW for the atomic target.
As for Figure 2 , for the 2a 1 state of NH3.
TDCS for orbitals of s-like character for the three iso-electronic targets using different outgoing electron energies. The left plots are from the 2a 1 (HOMO-1) of CH4, 27 the 2a 1 (HOMO-2) for NH3 is shown in the central plots, and the 2s orbital of neon 25 is shown in the right-hand plots. The energies in each case are shown in the respective plots.
TDCS from the 3a 1 state (HOMO) of ammonia in perpendicular kinematics. The energies of the outgoing electrons are shown in the respective plots. The experimental data (dots) and prediction from a distorted wave Born approximation (dashed lines) and molecular three-body distorted wave approximation (solid lines) are shown. The data and theoretical curves have been independently normalised to unity at their peak for each energy.
As for Figure 8 , for the 1e 1 state (HOMO-1) of NH3.
TDCS in the perpendicular plane for orbitals with p-like character for the iso-electronic series. The left hand panels show data for the HOMO orbital of CH4, 28 the middle two columns show data for the HOMO and HOMO-1 orbitals of NH3, respectively, and the right hand column shows the data from Ne. 26 For each target three energy regimes are shown, labeled on the individual plots.
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