Reduced-Cost Second-Order Algebraic-Diagrammatic Construction Method for Core Excitations
Sign Up to like & getrecommendations! Published in 2023 at "Journal of Chemical Theory and Computation"
DOI: 10.1021/acs.jctc.3c00101
Abstract: Our reduced-cost scheme [J. Chem. Phys.2018, 148, 094111] based on the frozen virtual natural orbital and natural auxiliary function approaches is extended to core excitations. The efficiency of the approximation is presented for the second-order… read more here.
Keywords: order algebraic; core; core excitations; reduced cost ... See more keywords
Reduced-cost second-order algebraic-diagrammatic construction method for excitation energies and transition moments
Sign Up to like & getrecommendations! Published in 2018 at "Journal of Chemical Physics"
DOI: 10.1063/1.5021832
Abstract: A reduced-cost implementation of the second-order algebraic-diagrammatic construction [ADC(2)] method is presented. We introduce approximations by restricting virtual natural orbitals and natural auxiliary functions, which results, on average, in more than an order of magnitude… read more here.
Keywords: order; reduced cost; second order; method ... See more keywords
The effects of socioeconomic status on baseline neurocognitive testing scores
Sign Up to like & getrecommendations! Published in 2019 at "Applied Neuropsychology: Child"
DOI: 10.1080/21622965.2019.1671842
Abstract: Abstract Baseline neurocognitive testing has been recommended to provide a more accurate representation of the pre-concussion cognitive status of individual athletes. Socioeconomic status is not typically controlled for when obtaining baseline scores, which may lead… read more here.
Keywords: status; reduced cost; free reduced; socioeconomic status ... See more keywords