Electron Propagator Self-Energies versus Improved GW100 Vertical Ionization Energies.
Sign Up to like & getrecommendations! Published in 2022 at "Journal of chemical theory and computation"
DOI: 10.1021/acs.jctc.2c00502
Abstract: Ab initio electron propagator (EP) methods that are free of adjustable parameters in their self-energy formulae and in the generation of their orbital bases have been applied to the calculation of the lowest vertical ionization… read more here.
Keywords: ionization energies; electron propagator; self energies; vertical ionization ... See more keywords
Electron Propagator Methods for Vertical Electron Detachment Energies of Anions: Benchmarks and Case Studies.
Sign Up to like & getrecommendations! Published in 2018 at "Journal of chemical theory and computation"
DOI: 10.1021/acs.jctc.8b00736
Abstract: Ab initio electron propagator methods are efficient and accurate means of calculating vertical electron detachment energies of closed-shell, molecular anions with nuclei from the first three periods. Basis set extrapolations enable definitive comparisons between electron… read more here.
Keywords: propagator methods; order; electron detachment; electron ... See more keywords
Relativistic electron detachment energies and spin–orbit splittings from quasiparticle electron propagator calculations
Sign Up to like & getrecommendations! Published in 2020 at "Molecular Physics"
DOI: 10.1080/00268976.2019.1700314
Abstract: The P3+ (renormalized partial third–order) self–energy approximation has been highly successful in interpretation and prediction of photoelectron spectra of atoms, molecules and ions. This method is extended presently to heavier elements and the prediction of… read more here.
Keywords: spin orbit; electron propagator; electron detachment; detachment energies ... See more keywords
Electron propagator with vector and scalar energy-dependent potentials in (2+1)-dimensional space–time
Sign Up to like & getrecommendations! Published in 2018 at "International Journal of Modern Physics A"
DOI: 10.1142/s0217751x18501865
Abstract: We have studied the effect of energy-dependent potentials for the relativistic spinning particle using the formalism for supersymmetric path integrals. That leaves behind a new normalization of wave function, which is examined via the Dirac… read more here.
Keywords: energy; vector scalar; propagator vector; energy dependent ... See more keywords
Electron propagator solution for an inhomogeneous magnetic field in the momentum space representation
Sign Up to like & getrecommendations! Published in 2020 at "International Journal of Modern Physics A"
DOI: 10.1142/s0217751x2050150x
Abstract: The relativistic quantum mechanics of the electron in an inhomogeneous magnetic field problem is solved exactly in terms of the momentum space path integral formalism. We adopt the space–time trans... read more here.
Keywords: space; inhomogeneous magnetic; momentum space; magnetic field ... See more keywords