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In this article the recent developments of the open-source OpenMolcas chemistry software environment, since spring 2020, are described, with the main focus on novel functionalities that are accessible in the stable branch of the package and/or via interfaces with other packages. These community developments span a wide range of topics in computational chemistry, and are presented in thematic sections associated with electronic structure theory, electronic spectroscopy simulations, analytic gradients and molecular structure optimizations, ab initio molecular dynamics, and other new features. This report represents a useful summary of these developments, and it offers a solid overview of the chemical phenomena and processes that OpenMolcas can address, while showing that OpenMolcas is an attractive platform for state-of-the-art atomistic computer simulations. 

The analysis of multiple dependent degradation processes is a challenging research work in the reliability field, especially for complex degradation with random jumps. To integrally handle the jump uncertainties in degradation and the dependence among degradation processes, we construct multi-dimensional Lévy processes to describe multiple dependent degradation processes in engineering systems. The evolution of each degradation process can be modeled by a one-dimensional Lévy subordinator with a marginal Lévy measure, and the dependence among all dimensions can be described by Lévy copulas and the associated multiple-dimensional Lévy measure. This Lévy measure is obtained from all its one-dimensional marginal Lévy measures and the Lévy copula. We develop the Fokker-Planck equations to describe the probability density in stochastic systems. The Laplace transforms of both reliability function and lifetime moments are derived. Numerical examples are used to demonstrate our models in lifetime analysis. 

We present deep rest-frame UV spectroscopic observations using the Gran Telescopio Canarias of six gravitationally lensed Lyα emitters (LAEs) at 2.36 < z < 2.82 selected from the BELLS GALLERY survey. By taking the magnifications into account, we show that LAEs can be as luminous as LLyα ≃ 30 × 1042 erg s−1 and MUV ≃ −23 (AB) without invoking an AGN component, in contrast with previous findings. We measure Lyα rest-frame equivalent widths, $EW_{0}\,\rm (Ly\alpha)$, ranging from 16 to 50 Å and Lyα escape fractions, $f_{\rm esc}\, \rm (Ly\alpha)$, from 10 per cent to 40 per cent. Large $EW_{0}\, \rm (Ly\alpha)$ and $f_{\rm esc}\, \rm (Ly\alpha)$ are found predominantly in LAEs showing weak low-ionization ISM absorption (EW0 ≲ 1 Å) and narrow Lyα profiles (≲300 km s−1 FWHM) with their peak close (≲80 km s−1) to their systemic redshifts, suggestive of less scatter from low H i column densities that favours the escape of Lyα photons. We infer stellar metallicities of Z/Z⊙ ≃ 0.2 in almost all LAEs by comparing the P-Cygni profiles of the wind lines N v1240 Å and C iv1549 Å with those from stellar synthesis models. We also find a trend between MUV and the velocity offset of ISM absorption lines, such as the most luminous LAEs experience stronger outflows. The most luminous LAEs show star formation rates up to ≃180 M⊙ yr−1, yet they appear relatively blue (βUV ≃ −1.8 to −2.0) showing evidence of little dust attenuation [E(B − V) = 0.10–0.14]. These luminous LAEs may be particular cases of young starburst galaxies that have had no time to form large amounts of dust. If so, they are ideal laboratories to study the early phase of massive star formation, stellar and dust mass growth, and chemical enrichment histories of starburst galaxies at high-z.