Electron correlation effects on the mechanical and optical properties of polymers

1984 ◽  
Vol 26 (S18) ◽  
pp. 161-171 ◽  
Author(s):  
S. Suhai
Keyword(s):  
Optical Properties ◽  
Electron Correlation ◽  
Correlation Effects ◽  
Electron Correlation Effects

scholarly journals Electron correlation effects and magneto-optical properties of yttrium iron garnet

AIP Advances ◽  
2020 ◽  
Vol 10 (4) ◽  
pp. 045029
Author(s):  
Hiroki Nakashima ◽  
Abdul-Muizz Pradipto ◽  
Toru Akiyama ◽  
Tomonori Ito ◽  
Kohji Nakamura
Keyword(s):  
Optical Properties ◽  
Electron Correlation ◽  
Yttrium Iron Garnet ◽  
Correlation Effects ◽  
Yttrium Iron ◽  
Electron Correlation Effects ◽  
Iron Garnet

scholarly journals Электронная структура соединения DyFe-=SUB=-2-=/SUB=-Si-=SUB=-2-=/SUB=-: зонный расчет и оптические исследования

2020 ◽  
Vol 62 (3) ◽  
pp. 364
Author(s):  
Ю.В. Князев ◽  
А.В. Лукоянов ◽  
Ю.И. Кузьмин
Keyword(s):  
Optical Properties ◽  
Electron Correlation ◽  
Earth Metal ◽  
Density Approximation ◽  
Correlation Effects ◽  
Interband Transitions ◽  
Local Electron ◽  
Strong Electron ◽  
Local Electron Density ◽  
Electron Correlation Effects

Investigations of electronic structure and optical properties of DyFe2Si2 compound have been carried out. Calculations of the band structure were made with employing local electron density approximation with correction for strong electron correlation effects in the 4f-shells of rare earth metal (GGA+U method). Optical properties were studied by ellipsometric technique in wide wavelength interval. A number of spectral and electronic characteristics were determined. It is shown that the optical conductivity of the compound in interband transitions range is interpreted satisfactorily by means of the density of states calculations.

Quantifying electron-correlation effects in small coinage-metal clusters by ab initio calculations

2021 ◽  
Author(s):  
Victor Giovanni de Pina ◽  
Bráulio Gabriel Alencar Brito ◽  
Guo -Q Hai ◽  
Ladir Cândido
Keyword(s):  
Monte Carlo ◽  
Ab Initio Calculations ◽  
Ab Initio ◽  
Electron Correlation ◽  
Metal Clusters ◽  
Correlation Effects ◽  
Diffusion Monte Carlo ◽  
Coinage Metal ◽  
Electron Correlation Effects ◽  
Fixed Node

We investigate many-electron correlation effects in neutral and charged coinage-metal clusters Cun, Agn, and Aun (n = 1 − 4) by ab initio calculations using fixed-node diffusion Monte Carlo (FN-DMC)...

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