Theoretical calculations of photoabsorption of several alicyclic molecules in the vacuum ultraviolet region

Nobuyuki N. Matsuzawa; Akihiko Ishitani; David A. Dixon; Tsuyoshi Uda

doi:10.1117/12.436871

24 August 2001 Theoretical calculations of photoabsorption of several alicyclic molecules in the vacuum ultraviolet region

Nobuyuki N. Matsuzawa, Akihiko Ishitani, David A. Dixon, Tsuyoshi Uda

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Proceedings Volume 4345, Advances in Resist Technology and Processing XVIII; (2001) https://doi.org/10.1117/12.436871
Event: 26th Annual International Symposium on Microlithography, 2001, Santa Clara, CA, United States

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, Akihiko Ishitani, David A. Dixon, and 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); https://doi.org/10.1117/12.436871

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