Zobrazeno 1 - 5
of 5
pro vyhledávání: '"Yukina Yokoi"'
Publikováno v:
AIP Conference Proceedings.
We for the first time performed a systematic evaluation of dynamic second hyperpolarizabilities corresponding to all the third-order Nonlinear Optical (NLO) processes using Time Dependent Density Functional Theory (TDDFT) with exchange functional cor
Autor:
Nicholas Vence, Takeshi Yanai, Jakob S. Kottmann, Jun Jia, M-J. Yvonne Ou, Nichols A. Romero, Álvaro Vázquez-Mayagoitia, Diego Galindo, Robert W. Harrison, Gregory Beylkin, Edward F. Valeev, George I. Fann, Junchen Pei, Yukina Yokoi, Bryan Sundahl, Justus A. Calvin, Jeff R. Hammond, Hideo Sekino, Judith Hill, Matthew G. Reuter, Jacob Fosso-Tande, Laura E. Ratcliff, William A. Shelton, Florian A. Bischoff, W. Scott Thornton, Rebecca Hartman-Baker, Adam Richie-Halford
Publikováno v:
SIAM Journal on Scientific Computing, vol 38, iss 5
Harrison, RJ; Beylkin, G; Bischoff, FA; Calvin, JA; Fann, GI; Fosso-Tande, J; et al.(2016). MADNESS: A Multiresolution, Adaptive Numerical Environment for Scientific Simulation. SIAM Journal on Scientific Computing, 38(5), S123-S142. doi: 10.1137/15M1026171. Lawrence Berkeley National Laboratory: Retrieved from: http://www.escholarship.org/uc/item/9hz8w8tw
Harrison, RJ; Beylkin, G; Bischoff, FA; Calvin, JA; Fann, GI; Fosso-Tande, J; et al.(2016). MADNESS: A Multiresolution, Adaptive Numerical Environment for Scientific Simulation. SIAM Journal on Scientific Computing, 38(5), S123-S142. doi: 10.1137/15M1026171. Lawrence Berkeley National Laboratory: Retrieved from: http://www.escholarship.org/uc/item/9hz8w8tw
MADNESS (multiresolution adaptive numerical environment for scientific simulation) is a high-level software environment for solving integral and differential equations in many dimensions that uses adaptive and fast harmonic analysis methods with guar
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::a29778dc31f827cc21e4f8ce6b088fc0
Publikováno v:
AIP Conference Proceedings; 2015, Vol. 1649 Issue 1, p135-140, 6p, 5 Graphs
Publikováno v:
International Journal of Wavelets, Multiresolution and Information Processing. 11:1360008
Quantum chemistry program based on Multiresolution Multiwavelet (MRMW) basis set is much simpler and can be more efficient than the conventional one based on Gaussian basis set in molecular geometry optimization because the Hellmann Fynman Theorem (H
Publikováno v:
Journal of Physics: Conference Series. 352:012014
An algorithm to evaluate the response function on the space spanned by Multi-resolution Multi-wavelet (MRMW) basis functions is implemented in a new efficient quantum chemical program system. Dynamic electric dipole polarizability of a molecule is ev