Structure and electronic spectral property of coumarin–chalcone hybrids: A comparative study using conventional and long-range corrected hybrid functionals

2012 ◽  
Vol 981 ◽  
pp. 90-99 ◽  
Author(s):  
Yunsheng Xue ◽  
Lin An ◽  
Youguang Zheng ◽  
Ling Zhang ◽  
Xuedong Gong ◽  
...  
Keyword(s):  
Comparative Study ◽  
Spectral Property ◽  
Long Range ◽  
Hybrid Functionals

scholarly journals Difficulty in predicting shallow defects with hybrid functionals: Implication of the long-range exchange interaction

2013 ◽  
Vol 88 (3) ◽  
Author(s):  
Junhyeok Bang ◽  
Y. Y. Sun ◽  
Tesfaye A. Abtew ◽  
Amit Samanta ◽  
Peihong Zhang ◽  
...  
Keyword(s):  
Exchange Interaction ◽  
Long Range ◽  
Hybrid Functionals

Prediction of the linear and nonlinear optical properties of tetrahydronaphthalone derivatives via long-range corrected hybrid functionals

2014 ◽  
Vol 112 (24) ◽  
pp. 3165-3172 ◽  
Author(s):  
Alejandro J. Garza ◽  
Osman Ibrahim Osman ◽  
Nuha Ahmed Wazzan ◽  
Sher Bahadar Khan ◽  
Abdullah Mohamed Asiri ◽  
...  
Keyword(s):  
Optical Properties ◽  
Long Range ◽  
Nonlinear Optical ◽  
Nonlinear Optical Properties ◽  
Linear And Nonlinear ◽  
Hybrid Functionals

Long-range corrected density functional through the density matrix expansion based semilocal exchange hole

2018 ◽  
Vol 20 (13) ◽  
pp. 8991-8998 ◽  
Author(s):  
Bikash Patra ◽  
Subrata Jana ◽  
Prasanjit Samal
Keyword(s):  
Density Matrix ◽  
Long Range ◽  
Density Functional ◽  
Functional Formalism ◽  
Matrix Expansion ◽  
Hybrid Functionals

The exchange hole, which is one of the principal constituents of the density functional formalism, can be used to design accurate range-separated hybrid functionals in association with appropriate correlation.

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