Spin-State Splittings in 3d Transition-Metal Complexes Revisited: Benchmarking Approximate Methods for Adiabatic Spin-State Energy Differences in Fe(II) Complexes.
Sign Up to like & getrecommendations! Published in 2022 at "Journal of chemical theory and computation"
DOI: 10.1021/acs.jctc.2c00924
Abstract: The CASPT2+δMRCI composite approach reported in a companion paper has been extended and used to provide high-quality reference data for a series of adiabatic spin gaps (defined as ΔE = Equintet - Esinglet) of [FeIIL6]2+… read more here.
Keywords: adiabatic spin; reference data; spin state; spin ... See more keywords
Fast approximate methods for modified gravity cosmological simulations
Sign Up to like & getrecommendations! Published in 2020 at "Monthly Notices of the Royal Astronomical Society"
DOI: 10.1093/mnras/staa333
Abstract: The accelerated expansion of the Universe poses a major theoretical puzzle. Although the assumption of a non-zero cosmological constant provides a minimal extension of general relativity that is consistent with observational data, many theories of… read more here.
Keywords: approximate methods; methods modified; modified gravity; gravity cosmological ... See more keywords
Comparing approximate methods for mock catalogues and covariance matrices – I. Correlation function
Sign Up to like & getrecommendations! Published in 2018 at "Monthly Notices of the Royal Astronomical Society"
DOI: 10.1093/mnras/sty2757
Abstract: This paper is the first in a set that analyses the covariance matrices of clustering statistics obtained from several approximate methods for gravitational structure formation. We focus here on the covariance matrices of anisotropic two-point… read more here.
Keywords: covariance matrices; approximate methods; correlation function; body ... See more keywords
Approximate Methods for Calculating Singular and Hypersingular Integrals with Rapidly Oscillating Kernels
Sign Up to like & getrecommendations! Published in 2022 at "Axioms"
DOI: 10.3390/axioms11040150
Abstract: The article is devoted to the issue of construction of an optimal with respect to order passive algorithms for evaluating Cauchy and Hilbert singular and hypersingular integrals with oscillating kernels. We propose a method for… read more here.
Keywords: singular hypersingular; oscillating kernels; quadrature formulas; hypersingular integrals ... See more keywords