Results 351 to 360 of about 764,877 (372)

?????????????????????? ?????????????? ?????????????????? ?????????? ?? ?????????????????? ???????????????? ?????????????????????????? ??????????????????????????????? ?? ?????????????????????????? ???????????? DFT

2015
?? ???????????????????????????? ????????????????-?????????????????????? ???????????? ?????????????????????? ?????????????????? (DFT) ?? ???????????????????? ?????????????????????? ?????????????????????????? ???????????????? ???????????????????????? ??????????????????????????????? ?? ???????????????????? ???????????????????????????? ???? ????????????????
openaire   +1 more source

DFT

2005
W. H. Baur, R. X. Fischer
openaire   +1 more source

Towards an order-N DFT method

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

DFT (and DMFT) for DFT users

2023
openaire   +1 more source

Two-Dimensional DFT

2018
The 2-D DFT is presented as two sets of 1-D DFTs. Examples of the 2-D DFT are given. The formal definitions of 2-D DFT and IDFT are presented. The computation of the 2-D DFT by the row–column method is described with examples. Finally, a comprehensive coverage of the properties of the 2-D DFT is presented with examples.
openaire   +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

DFT closure

Proceedings of the Ninth Asian Test Symposium, 2002
F. Hayat, T.W. Williams, R. Kapur, D. Hsu   +3 more
openaire   +1 more source

DFT

2011
openaire   +1 more source

Predicting Catalytic Activity of Nanoparticles by a DFT-Aided Machine-Learning Algorithm.

Journal of Physical Chemistry Letters, 2017
Ryosuke Jinnouchi, R. Asahi
semanticscholar   +1 more source

DFT Properties

2015
Andrey Alenin, J. Scott Tyo
openaire   +1 more source