Localized orbital corrections for density functional calculations on transition metal containing systems
Sign Up to like & getrecommendations! Published in 2017 at "Coordination Chemistry Reviews"
DOI: 10.1016/j.ccr.2017.02.014
Abstract: Abstract We describe a method that improves density functional theory (DFT) calculations for transition metal containing systems via a set of empirical localized orbital corrections applied to the d-electron manifold of the metal (DBLOC). The… read more here.
Keywords: density functional; calculations transition; transition metal; localized orbital ... See more keywords
A Localized-Orbital Energy Evaluation for Auxiliary-Field Quantum Monte Carlo.
Sign Up to like & getrecommendations! Published in 2022 at "Journal of chemical theory and computation"
DOI: 10.1021/acs.jctc.2c00111
Abstract: Phaseless auxiliary-field quantum Monte Carlo (ph-AFQMC) has recently emerged as a promising method for the production of benchmark-level simulations of medium- to large-sized molecules because of its accuracy and favorable polynomial scaling with system size.… read more here.
Keywords: quantum monte; energy; localized orbital; auxiliary field ... See more keywords
Localized orbital amyloidosis – A varied presentation
Sign Up to like & getrecommendations! Published in 2022 at "Oman Journal of Ophthalmology"
DOI: 10.4103/ojo.ojo_148_21
Abstract: Localized orbital amyloidosis is rare, usually slowly progressive and benign disorder. The most common signs and symptoms include visible periocular mass, ptosis, proptosis, globe displacement, ocular motility disturbances, recurrent periocular subcutaneous hemorrhages, and dry eyes.… read more here.
Keywords: varied presentation; orbital amyloidosis; localized orbital; amyloidosis varied ... See more keywords