INTRODUCTION: Density functional theory (DFT) is a widely used method for calculating the electronic properties of materials. The method is based on the idea of approximating the many-electron wave ...
Proceedings of the National Academy of Sciences of the United States of America, Vol. 114, No. 44 (October 31, 2017), pp. 11633-11638 (6 pages) We establish the physical origins of chemical ...
Indicator functions are constructed under the linear-quadratic parameterization for contrasts, and applied to the study of partial aliasing properties for three-level fractional factorial designs. An ...
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