Results 1 to 10 of about 42,944 (246)
Minimum hardware requirements for hybrid quantum–classical DMFT [PDF]
Quantum Science and Technology, 2020 We numerically emulate noisy intermediate-scale quantum (NISQ) devices and determine the minimal hardware requirements for two-site hybrid quantum–classical dynamical mean-field theory (DMFT).
Ben Jaderberg +4 more
semanticscholar +4 more sources
The role of non-spherical double counting in DFT+DMFT: total energy and structural optimization of pnictide superconductors [PDF]
Physical review B, 2018 A simple scheme for avoiding non-spherical double counting in the combination of density func- tional theory with dynamical mean-field theory (DFT+DMFT)is developed.
Kristanovski, Oleg +3 more
core +2 more sources
Journal of Pharmacy and Bioallied SciencesIntroduction: Dental caries is a chronic human disease that can result in tooth destruction if not treated in the initial stages. Knowledge of blood groups and their association with oral diseases may help in early diagnosis and treatment strategies ...
Neelam Mittal +5 more
doaj +2 more sources
Exchange interactions in iron and nickel: DFT+DMFT study in paramagnetic phase [PDF]
Physical review B, 2022 We analyze possible ways to calculate magnetic exchange interactions within the density functional theory plus dynamical mean-field theory (DFT+DMFT) approach in the paramagnetic phase.
A. Katanin +3 more
semanticscholar +1 more source
Core-Level X-Ray Spectroscopy of Infinite-Layer Nickelate: LDA+DMFT Study [PDF]
Physical Review X, 2021 Motivated by recent core-level x-ray photoemission spectroscopy (XPS), x-ray absorption spectroscopy (XAS) and resonant inelastic x-ray scattering (RIXS) experiments for the newly-discovered superconducting infinite-layer nickelate, we investigate the ...
K. Higashi +3 more
semanticscholar +1 more source
The relationship between oral health literacy with failed appointments and DMFT in adults attending orthodontic clinic of Birjand [PDF]
Iranian Journal of Orthodontics, 2021 Background: Oral health literacy (OHL) is one of the most important determinants of oral health. A missed appointment has many potential implications for oral health and treatment outcomes.
Mahdjoube Goldani Moghadam +2 more
doaj +1 more source
Medicina, 2023 Background and Objectives: Oral health is one of the most significant issues in public health. The Decayed, Missing, and Filled Teeth (DMFT) Index is a useful tool for assessing and measuring the state of oral health in a community.
M. A. Ahmed +6 more
semanticscholar +1 more source
Ab Initio Full Cell GW+DMFT for Correlated Materials [PDF]
Physical Review X, 2020 Quantitative prediction of electronic properties in correlated materials requires simulations without empirical truncations and parameters. We present a method to achieve this goal through a new ab initio formulation of dynamical mean-field theory (DMFT).
Tianyu Zhu, G. Chan
semanticscholar +1 more source
solid_dmft: gray-boxing DFT+DMFT materials simulations with TRIQS
Journal of Open Source Software, 2022 Strongly correlated systems are a class of materials whose electronic structure is heavily influenced by the effect of electron-electron interactions.
M. Merkel +3 more
semanticscholar +1 more source
International Journal of Dentistry, 2022 Background. Given the effect of oral and dental condition on emotional and physical health and the different effects of beverage consumption on decayed, missing, and filled teeth (DMFT) as one of the indicators of oral health in different populations ...
Mahdi Hadilou +3 more
semanticscholar +1 more source