Alexander B. Trofimov

TL;DR: In this paper, a second-order algebraic-diagrammatic construction (ADC(2)) method is proposed for the treatment of valence electron excitations in atoms and molecules, which allows for a theoretical description of single and double excitations consistently through second and first order perturbation theory.

TL;DR: The potential of the ADC(2) method is demonstrated in an exploratory study of the excitation energies and dipole moments of the low-lying excited states of paranitroaniline and the established hierarchy of higher-order [ADC(n)] approximations, corresponding to systematic truncation-theoretical expansions of the ISR matrix elements, can readily be extended to the excited state properties.

TL;DR: The [ital K]-shell excitation spectra of the hydrides water, ammonia, and methane have been measured in photoabsorption experiments using synchrotron radiation in combination with a high-resolution monochromator, observing a wealth of spectral detail which was not accessible in previous studies.

TL;DR: An efficient third-order propagator method to compute ionization potentials and electron affinities of atoms and molecules is presented in this paper, which is based on the algebraic diagrammatic construction (ADC) representing a specific reformulation of the diagrammatic perturbation series of the electron propagator G(ω) in contrast with previous approximation schemes, relying on the Dyson equation and approximations for the self-energy part.

TL;DR: In this article, a third-order algebraic-diagrammatic construction (ADC(3) method for direct computation of electronic excitation energies and transition moments is presented, based on a specific reformulation of the diagrammatic perturbation expansion for the polarization propagator.