Results 391 to 396 of about 655,640 (396)

Advances in DFT

International Journal of Quantum Chemistry, 2016
openaire   +2 more sources

Towards an order-N DFT method

, 1998
C. F. Guerra, J. G. Snijders, G. T. Velde, E. Baerends   +3 more
semanticscholar   +1 more source

Efficient, approximate and parallel Hartree–Fock and hybrid DFT calculations. A ‘chain-of-spheres’ algorithm for the Hartree–Fock exchange

, 2009
F. Neese, F. Wennmohs, A. Hansen, Ute Becker   +3 more
semanticscholar   +1 more source

C2N monolayer as NH3 and NO sensors: A DFT study

Applications of Surface Science, 2019
Y. Yong, Hong-Ling Cui, Qingxiao Zhou, Xiangying Su, Yanmin Kuang, Xiaohong Li   +5 more
semanticscholar   +1 more source

Density functional theory (DFT) as a powerful tool for designing new organic corrosion inhibitors. Part 1: An overview

, 2015
I. Obot, D. Macdonald, D. Macdonald, Z. Gasem   +3 more
semanticscholar   +1 more source

Spectral Efficiency of DFT-Based Processing Hybrid Architectures in Massive MIMO

IEEE Wireless Communications Letters, 2017
Weiqiang Tan, M. Matthaiou, Shi Jin, Xiao Li   +3 more
semanticscholar   +1 more source