Modeling polarization for Hyper-NA lithography tools and masks
Kafai Lai, Alan E. Rosenbluth, et al.
SPIE Advanced Lithography 2007
We have performed ab initio calculations on a wide range of small molecules, demonstrating the accuracy and flexibility of an alternative method for calculating the electronic structure of molecules, solids, and surfaces. It is based on the local-density approximation (LDA) for exchange and correlation and the nonlinear augmented-plane-wave method. Very accurate atomic forces are obtained directly. This allows for implementation of Car-Parrinello-like techniques to determine simultaneously the self-consistent electron wave functions and the equilibrium atomic positions within an iterative scheme. We find excellent agreement with the best existing LDA-based calculations and remarkable agreement with experiment for the equilibrium geometries, vibrational frequencies, and dipole moments of a wide variety of molecules, including strongly bound homopolar and polar molecules, hydrogen-bound and electron-deficient molecules, and weakly bound alkali and noble-metal dimers, although binding energies are overestimated. © 1993 The American Physical Society.
Kafai Lai, Alan E. Rosenbluth, et al.
SPIE Advanced Lithography 2007
K.A. Chao
Physical Review B
Michael Ray, Yves C. Martin
Proceedings of SPIE - The International Society for Optical Engineering
K.N. Tu
Materials Science and Engineering: A