24 August 2001 Theoretical calculations of photoabsorption of several alicyclic molecules in the vacuum ultraviolet region
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Abstract
In order to aid in the design of transparent materials for use as photoresists for F2 lithography (157nm), we have performed time-dependent density functional theory (TD-DFT) calculations of the photoabsorption of molecules in the vacuum ultraviolet region. The application of this TD-DFT method to the prediction of photoabsorption was benchmarked using model molecules such as formaldehyde, and an empirical equation for correcting the calculated transition energy was obtained. The TD-DFT method with the empirical correction equation provides dramatically more accurate results than those obtained with the CIS (single-excitation configuration interaction) method, which we employed in previous studies. We used it to predict the photoabsorption of various molecules such as methanol, t-butylalcohol, acetic acid, methyl acetate, cycloalkane, norbonane, tricylodecane, tetrahydropyrane, admantane, maleic anhydride and their fluorinated derivatives.
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Nobuyuki N. Matsuzawa, Nobuyuki N. Matsuzawa, Akihiko Ishitani, Akihiko Ishitani, David A. Dixon, David A. Dixon, Tsuyoshi Uda, Tsuyoshi Uda, } "Theoretical calculations of photoabsorption of several alicyclic molecules in the vacuum ultraviolet region", Proc. SPIE 4345, Advances in Resist Technology and Processing XVIII, (24 August 2001); doi: 10.1117/12.436871; https://doi.org/10.1117/12.436871
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