We present a specialization of the grid-based implementation time-dependent configuration-interaction singles described in preceding paper [S. Carlstr\"om et al., paper, Phys. Rev. A 106, 043104 (2022)]. to case spherical symmetry. describe intricate time propagator detail and conclude with few example calculations. Among these, note are high-resolution photoelectron spectra vicinity Fano reson...

Despite the wide applicability of enantioselective Brønsted acid catalysis, experimental insight into transition states is very rare, and most of the mechanistic knowledge is gained by theoretical calculations. Here, we present an alternative approach (decrypting transition state by light = DTS-hν), which enables the decryption of the transition states involved in chiral phosphoric acids cataly...

In the first part (Part I) of this study, a novel fluidized bed reactor was modeled mathematically for methanol synthesis in the presence of in-situ water adsorbent named Sorption Enhanced Fluidized-bed Reactor (SE-FMR) is modeled, mathematically. Here, the non-dominated sorting genetic algorithm-II (NSGA-II) is applied for multi-objective optimization of this configuration. Inlet temperature o...

A, survival analysis regression model is described for analyzing twip. data on the age-atmenarche. The model includes latent genetic and environmental covariates and allows one to test hypotheses regarding the nature of familial aggregation for age-at-onset. Additionally, the model accommodates a variety of baseline survival distributions and therefore may be used to test different developmenta...