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1. Measuring Density-Driven Errors Using Kohn–Sham Inversion

   https://doi.org/doi.org/10.1021/acs.jctc.0c00391  

   Nam, Seungsoo; Song, Suhwan; Sim, Eunji; and Burke, Kieron (July 2020, Journal of chemical theory and computation)

   Kohn–Sham (KS) inversion, that is, the finding of the exact KS potential for a given density, is difficult in localized basis sets. We study the precision and reliability of several inversion schemes, finding estimates of density-driven errors at a useful level of accuracy. In typical cases of substantial density-driven errors, Hartree–Fock density functional theory (HF-DFT) is almost as accurate as DFT evaluated on CCSD(T) densities. A simple approximation in practical HF-DFT also makes errors much smaller than the density-driven errors being calculated. Two paradigm examples, stretched NaCl and the HO·Cl– radical, illustrate just how accurate HF-DFT is. 

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2. Axionic band topology in inversion-symmetric Weyl-charge-density waves

   https://doi.org/10.1103/PhysRevResearch.2.042010  

   Wieder, Benjamin J.; Lin, Kuan-Sen; Bradlyn, Barry (October 2020, Physical Review Research)

   null (Ed.)
3. Evaluation of a Magnetic Field Inversion Method Using Only Stokes I

   https://doi.org/10.3847/2515-5172/ad1be8  

   Ali, Abduhla; Diercke, Andrea; Hofmeister, Stefan; Kuckein, Christoph; Savin, Daniel Wolf; Hahn, Michael (January 2024, Research Notes of the AAS)

   Abstract We compare a method for inferring the photospheric vector magnetic field using only spectroscopy to a conventional method based on polarimetry. The magnetic field strengthBand inclination angle can be inferred from the Zeeman splitting using only StokesI. We applied this method to a sunspot observed with the Vacuum Tower Telescope and compared the results to vector magnetograms from the Helioseismic and Magnetic Imager on the Solar Dynamics Observatory, which used a polarimetric inversion. The spectroscopic inversion tends to show higher values inBcompared to the polarimetric data. In quiet regions the discrepancy inBwas typically a factor of two. In the strong sunspot fields, the differences averaged ≈22%. These discrepancies are significant, but comparable to those typically found among magnetograms from different instruments. Our results support the use of the spectroscopic inversion technique to provide a fast and reasonable estimate ofB. 

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4. A Bayesian 3-D linear gravity inversion for complex density distributions: application to the Puysegur subduction system

   https://doi.org/10.1093/gji/ggaa425  

   Hightower, Erin; Gurnis, Michael; Van Avendonk, Harm (October 2020, Geophysical Journal International)

   null (Ed.)

   SUMMARY We have developed a linear 3-D gravity inversion method capable of modelling complex geological regions such as subduction margins. Our procedure inverts satellite gravity to determine the best-fitting differential densities of spatially discretized subsurface prisms in a least-squares sense. We use a Bayesian approach to incorporate both data error and prior constraints based on seismic reflection and refraction data. Based on these data, Gaussian priors are applied to the appropriate model parameters as absolute equality constraints. To stabilize the inversion and provide relative equality constraints on the parameters, we utilize a combination of first and second order Tikhonov regularization, which enforces smoothness in the horizontal direction between seismically constrained regions, while allowing for sharper contacts in the vertical. We apply this method to the nascent Puysegur Trench, south of New Zealand, where oceanic lithosphere of the Australian Plate has underthrust Puysegur Ridge and Solander Basin on the Pacific Plate since the Miocene. These models provide insight into the density contrasts, Moho depth, and crustal thickness in the region. The final model has a mean standard deviation on the model parameters of about 17 kg m–3, and a mean absolute error on the predicted gravity of about 3.9 mGal, demonstrating the success of this method for even complex density distributions like those present at subduction zones. The posterior density distribution versus seismic velocity is diagnostic of compositional and structural changes and shows a thin sliver of oceanic crust emplaced between the nascent thrust and the strike slip Puysegur Fault. However, the northern end of the Puysegur Ridge, at the Snares Zone, is predominantly buoyant continental crust, despite its subsidence with respect to the rest of the ridge. These features highlight the mechanical changes unfolding during subduction initiation. 

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5. Characterization of a pericentric inversion in plateau fence lizards ( Sceloporus tristichus ): evidence from chromosome-scale genomes

   https://doi.org/10.1093/g3journal/jkab036  

   Bedoya, Ana M; Leaché, Adam D (February 2021, G3 Genes|Genomes|Genetics)

   Sethuraman, A (Ed.)

   Abstract Spiny lizards in the genus Sceloporus are a model system among squamate reptiles for studies of chromosomal evolution. While most pleurodont iguanians retain an ancestral karyotype formula of 2n = 36 chromosomes, Sceloporus exhibits substantial karyotype variation ranging from 2n =  22 to 46 chromosomes. We present two annotated chromosome-scale genome assemblies for the Plateau Fence Lizard (Sceloporus tristichus) to facilitate research on the role of pericentric inversion polymorphisms on adaptation and speciation. Based on previous karyotype work using conventional staining, the S. tristichus genome is characterized as 2n =  22 with six pairs of macrochromosomes and five pairs of microchromosomes and a pericentric inversion polymorphism on chromosome 7 that is geographically variable. We provide annotated, chromosome-scale genomes for two lizards located at opposite ends of a dynamic hybrid zone that are each fixed for different inversion polymorphisms. The assembled genomes are 1.84–1.87 Gb (1.72 Gb for scaffolds mapping to chromosomes) with a scaffold N50 of 267.5 Mb. Functional annotation of the genomes resulted in ∼15K predicted gene models. Our assemblies confirmed the presence of a 4.62-Mb pericentric inversion on chromosome 7, which contains 62 annotated coding genes with known functions. In addition, we collected population genomics data using double digest RAD-sequencing for 44 S. tristichus to estimate population structure and phylogeny across the Colorado Plateau. These new genomic resources provide opportunities to perform genomic scans and investigate the formation and spread of pericentric inversions in a naturally occurring hybrid zone. 

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