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Physical Chemistry Chemical Physics : PCCP
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September 16, 2015
Multipole-preserving quadratures for the discretization of functions in real-space electronic structure calculations
Luigi Genovese, Thierry Deutsch
Journal of Physics. Condensed Matter : an Institute of Physics Journal
|
April 6, 2019
Pseudo-fragment approach for extended systems derived from linear-scaling DFT
Laura E Ratcliff, Luigi Genovese
Scientific Reports
|
August 10, 2017
Metastable exohedrally decorated Borospherene B<sub>40</sub>
Santanu Saha, Luigi Genovese, Stefan Goedecker
The Journal of Chemical Physics
|
August 11, 2007
Efficient and accurate three-dimensional Poisson solver for surface problems
Luigi Genovese, Thierry Deutsch, Stefan Goedecker
The Journal of Chemical Physics
|
May 17, 2013
Selecting boron fullerenes by cage-doping mechanisms
Paul Boulanger, Maxime Morinière, Luigi Genovese, et al.
The Journal of Chemical Physics
|
June 8, 2013
Accurate complex scaling of three dimensional numerical potentials
Alessandro Cerioni, Luigi Genovese, Ivan Duchemin, et al.
Journal of Chemical Theory and Computation
|
April 26, 2022
Transition-Based Constrained DFT for the Robust and Reliable Treatment of Excitations in Supramolecular Systems
Martina Stella, Kritam Thapa, Luigi Genovese, et al.
The Journal of Chemical Physics
|
October 9, 2012
Efficient and accurate solver of the three-dimensional screened and unscreened Poisson's equation with generic boundary conditions
Alessandro Cerioni, Luigi Genovese, Alessandro Mirone, et al.
The Journal of Chemical Physics
|
June 22, 2015
Fragment approach to constrained density functional theory calculations using Daubechies wavelets
Laura E Ratcliff, Luigi Genovese, Stephan Mohr, et al.
Journal of Chemical Theory and Computation
|
July 22, 2017
Complexity Reduction in Large Quantum Systems: Fragment Identification and Population Analysis via a Local Optimized Minimal Basis
Stephan Mohr, Michel Masella, Laura E Ratcliff, et al.
Page
of 5
Search research articles
Search
Showing results (1-10 of 45) with videos related to
Sort By:
Page
of 5
Physical Chemistry Chemical Physics : PCCP
|
September 16, 2015
Multipole-preserving quadratures for the discretization of functions in real-space electronic structure calculations
Luigi Genovese, Thierry Deutsch
Journal of Physics. Condensed Matter : an Institute of Physics Journal
|
April 6, 2019
Pseudo-fragment approach for extended systems derived from linear-scaling DFT
Laura E Ratcliff, Luigi Genovese
Scientific Reports
|
August 10, 2017
Metastable exohedrally decorated Borospherene B<sub>40</sub>
Santanu Saha, Luigi Genovese, Stefan Goedecker
The Journal of Chemical Physics
|
August 11, 2007
Efficient and accurate three-dimensional Poisson solver for surface problems
Luigi Genovese, Thierry Deutsch, Stefan Goedecker
The Journal of Chemical Physics
|
May 17, 2013
Selecting boron fullerenes by cage-doping mechanisms
Paul Boulanger, Maxime Morinière, Luigi Genovese, et al.
The Journal of Chemical Physics
|
June 8, 2013
Accurate complex scaling of three dimensional numerical potentials
Alessandro Cerioni, Luigi Genovese, Ivan Duchemin, et al.
Journal of Chemical Theory and Computation
|
April 26, 2022
Transition-Based Constrained DFT for the Robust and Reliable Treatment of Excitations in Supramolecular Systems
Martina Stella, Kritam Thapa, Luigi Genovese, et al.
The Journal of Chemical Physics
|
October 9, 2012
Efficient and accurate solver of the three-dimensional screened and unscreened Poisson's equation with generic boundary conditions
Alessandro Cerioni, Luigi Genovese, Alessandro Mirone, et al.
The Journal of Chemical Physics
|
June 22, 2015
Fragment approach to constrained density functional theory calculations using Daubechies wavelets
Laura E Ratcliff, Luigi Genovese, Stephan Mohr, et al.
Journal of Chemical Theory and Computation
|
July 22, 2017
Complexity Reduction in Large Quantum Systems: Fragment Identification and Population Analysis via a Local Optimized Minimal Basis
Stephan Mohr, Michel Masella, Laura E Ratcliff, et al.
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of 5