Results 301 to 310 of about 791,940 (315)

DGDFT: A massively parallel method for large scale density functional theory calculations

Journal of Chemical Physics, 2015
Wei Hu, Lin Lin, Chao Yang
exaly  

Razumikhin method for impulsive functional differential equations of neutral type

Chaos, Solitons and Fractals, 2017
Xiaodi Li, Feiqi Deng
exaly  

Hybridab initioKohn-Sham density functional theory/frozen-density orbital-free density functional theory simulation method suitable for biological systems

Journal of Chemical Physics, 2008
Miroslav Hodak, Wenchang Lu, J Bernholc   +2 more
exaly  

Scoring Functions to Evaluate the Rankings Methods for Variable Selection

2025 33rd European Signal Processing Conference (EUSIPCO)
M. Marinescu, Grace Villacrés, Luca Martino, Ó. Barquero   +3 more
openaire   +2 more sources

Application of an approximate density-functional method to sulfur containing compounds

Computational and Theoretical Chemistry, 2001
Thomas A Niehaus, Thomas Frauenheim
exaly  

Numerical solution of functional integral equations by the variational iteration method

Journal of Computational and Applied Mathematics, 2011
Jafar Biazar, Behzad Ghanbari
exaly  

Stability analysis for control systems with aperiodically sampled data using an augmented Lyapunov functional method

IET Control Theory and Applications, 2013
Chuan-Ke Zhang, Lin Jiang, Yong He
exaly  

Time-dependent density-functional theory in the projector augmented-wave method

Journal of Chemical Physics, 2008
Michael Walter, Hannu Häkkinen, Lauri Lehtovaara   +2 more
exaly  

Methods of Functional Separation of Variables

openaire   +1 more source

Time-dependent density functional theory based upon the fragment molecular orbital method

Journal of Chemical Physics, 2007
Dmitri G Fedorov, Kazuo Kitaura, Fedorov Dmitri G   +2 more
exaly