Applications of the Schwinger variational principle to electron-molecule collisions and molecular photoionization

RR Lucchese, K Takatsuka, V McKoy - Physics Reports, 1986 - Elsevier
In this article we present a detailed overview of our studies of molecular photoionization and
electron-molecule collisions in which we have used Schwinger-like variational principles …

Studies of differential and total photoionization cross sections of molecular nitrogen

RR Lucchese, G Raseev, V McKoy - Physical Review A, 1982 - APS
The photoionization of molecular nitrogen has been studied using a frozen-core Hartree-
Fock final-state wave function with a correlated intitial-state wave function. The final-state …

Rovibronic photoionization dynamics of asymmetric-top molecules

S Willitsch, F Merkt - International Journal of Mass Spectrometry, 2005 - Elsevier
Recent progress in the study of the rovibronic photoionization dynamics of polyatomic
molecules is reviewed with emphasis on the photoionization dynamics of asymmetric tops …

Rotational line intensities in zero kinetic energy photoelectron spectroscopy (ZEKE-PES)

F Merkt, TP Softley - International Reviews in Physical Chemistry, 1993 - Taylor & Francis
Recent advances in the understanding of the factors which determine line intensities in zero
kinetic energy photoelectron spectroscopy (ZEKE-PES) are reviewed. The relative …

Time-dependent local-density theory of dielectric effects in small molecules

ZH Levine, P Soven - Physical Review A, 1984 - APS
A time-dependent local-density theory of the photoemission spectra and polarizabilities of
finite systems is extended from atoms to molecules. The theory is implemented in a single …

Theoretical studies of inner-valence-shell photoionization cross sections in N2 and CO

PW Langhoff, SR Langhoff, TN Rescigno, J Schirmer… - Chemical Physics, 1981 - Elsevier
Theoretical studies in the intensity-borrowing sudden approximation are reported of inner-
valence-shell photoionization cross sections in N 2 and CO. The required ionic-state …

Generalization of the atomic random-phase-approximation method for diatomic molecules: photoionization cross-section calculations

SK Semenov, NA Cherepkov, GH Fecher… - Physical Review A, 2000 - APS
Partial and total photoionization cross sections of N 2 molecule are calculated using the
generalization of the random-phase approximation (RPA) which earlier has been …

Pictures of unbound molecular electrons, including shape‐resonant states. Eigenchannel contour maps

D Loomba, S Wallace, D Dill, JL Dehmer - The Journal of Chemical …, 1981 - pubs.aip.org
Eigenchannel wave functions are identified as the continuum analog of discrete‐state
eigenfunctions familiar from molecular structure calculations. As examples, eigenchannel …

Padé-approximant corrections to general variational expressions of scattering theory: Application to photoionization of carbon monoxide

RR Lucchese, V McKoy - Physical Review A, 1983 - APS
We discuss a method for systematically correcting results obtained using variational
expressions in scattering theory. The approach taken is to compute a sequence of Padé …

MS‐Xα calculation of the elastic electron scattering cross sections and x‐ray absorption spectra of CX4 and SiX4 (X=H,F,Cl)

JA Tossell, JW Davenport - The Journal of chemical physics, 1984 - pubs.aip.org
Multiple scattering Xα bound state and continuum calculations are used to study low energy
elastic electron scattering cross sections and pre‐edge features in the x‐ray absorption …