Results 31 to 40 of about 795,847 (338)
Interaction of Be4+ and Ground State Hydrogen Atom—Classical Treatment of the Collision
Atoms, 2020 The interaction between Be4+ and hydrogen atom is studied using the three-body classical trajectory Monte Carlo method (CTMC) and the quasiclassical trajectory Monte Carlo method of Kirschbaum and Wilets (QTMC-KW).
I. Ziaeian, K. Tőkési
doaj +1 more source
Targeting excited states in all-trans polyenes with electron-pair states [PDF]
J. Chem. Phys. 145, 234105 (2016), 2019 Wavefunctions restricted to electron pair states are promising models for strongly-correlated systems. Specifically, the pair Coupled Cluster Doubles (pCCD) ansatz allows us to accurately describe bond dissociation processes and heavy-element containing compounds with multiple quasi-degenerate single-particle states.
arxiv +1 more source
Origins of eukaryotic excitability [PDF]
Philosophical Transactions of the Royal Society B: Biological Sciences, 2021 All living cells interact dynamically with a constantly changing world. Eukaryotes, in particular, evolved radically new ways to sense and react to their environment. These advances enabled new and more complex forms of cellular behaviour in eukaryotes, including directional movement, active feeding, mating, and responses to predation. But what are the
Kirsty Y. Wan, Gáspár Jékely
openaire +5 more sources
Paradoxical Hyperexcitability in Disorders of Neurodevelopment
Frontiers in Molecular Neuroscience, 2022 Autism Spectrum Disorder (ASD), Rett syndrome (RTT) and Angelman Syndrome (AS) are neurodevelopmental disorders (NDDs) that share several clinical characteristics, including displays of repetitive movements, developmental delays, language deficits ...
Michelle W. Antoine
doaj +1 more source
Computational Psychiatry, 2017 Computational modeling is a useful method for generating hypotheses about the contributions of impaired neurobiological mechanisms, and their interactions, to psychopathology.
Steven M. Silverstein +2 more
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Fracton physics of spatially extended excitations [PDF]
Phys. Rev. B 101, 245134 (2020), 2019 Fracton topological order hosts fractionalized point-like excitations (e.g., fractons) that have restricted mobility. In this article, we explore even more bizarre realization of fracton phases that admit spatially extended excitations with restriction on both mobility and deformability.
arxiv +1 more source
Frontiers in Systems Neuroscience, 2020 The balance between neural excitation and inhibition has been shown to be crucial for normal brain function. However, it is unclear whether this balance is maintained through healthy aging.
Sungmin Kang +7 more
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eLife, 2020 Excitation-inhibition (E:I) imbalance is theorized as an important pathophysiological mechanism in autism. Autism affects males more frequently than females and sex-related mechanisms (e.g., X-linked genes, androgen hormones) can influence E:I balance ...
Stavros Trakoshis +16 more
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Frontiers in Synaptic Neuroscience, 2021 Identification of candidate risk genes and alteration in the expression of proteins involved in regulating inhibitory neuron function in various psychiatric disorders, support the notion that GABAergic neuron dysfunction plays an important role in ...
Douglas Asede +4 more
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Excited-State Downfolding Using Ground-State Formalisms [PDF]
arXiv, 2023 Downfolding coupled cluster (CC) techniques are powerful tools for reducing the dimensionality of many-body quantum problems. This work investigates how ground-state downfolding formalisms can target excited states using non-Aufbau reference determinants, paving the way for applications of quantum computing in excited-state chemistry.
arxiv