Photoionization cross sections and asymmetry parameters for silane

Abstract

We present calculated results of photoionization cross sections and photoelectron angular distributions for ionization out of the two outermost 2t 2 and 3a 1 valence orbitals of silane for photon energies ranging from near threshold to 50 eV. The iterative Schwinger variational method in the exact static-exchange level is applied to obtain the continuum photoelectron orbitals. A generally good agreement is observed between our calculated cross sections and the experimental data available in the literature. In addition, a striking similarity has been observed between the photoionization properties of the 1t 2 orbital of methane and the 2t 2 orbital of silane.

Cross-section and asymmetry-parameter calculations for the outer- and inner-valence photoionization of ethane

“…The method has already been applied with considerable success to the study of core ionizations [25,26], valence ionizations [27][28][29], and electron-molecule collisions [30,31]. The SCFCHF we use is essentially a one-electron method, thus we are unable to account for the multitude of many-body (MB) effects that are inherently displayed in the complexity of the electron-molecule interactions both at low and high energies [32].…”

Photoionization of C2F4 in the VUV region

“…First applications of this method were in the studies of photoionization of linear 7–9 and small polyatomic 10 molecules. More recent applications of the ISVM to molecular photoionization studies include those of C 2 H 2 , N 2 , O 2 , CO 2 , SiH 4 , CF 4 , and GeH 4 11–19. In all these previous applications, the method has shown to constitute a robust tool for such studies, leading in general to reliable results of σ and β.…”

Variationally stable calculations for molecular systems: Polarizabilities and two-photon ionization cross section for the hydrogen molecule

“…The SVIM has been widely and successfully applied in the study of many types of collision phenomena, such as elastic and inelastic scattering of electrons by molecules, 23 molecular ionization by electron impact, 24 and photoionization of molecules. 25 In this method, the unknown continuum wave function is expanded in a Gaussian function basis set and the expansion coefficients are calculated via the application of the Schwinger variational principle to the transition matrix of the process. The converged wave functions are obtained iteratively.…”