Search results for "electronic structure calculation"

Found 9 publication records. Showing 9 according to the selection in the facets

Hits ?▲	Authors	Title	Venue	Year	Link	Author keywords
1	Sang-Kil Son	Voronoi-cell finite difference method for accurate electronic structure calculation of polyatomic molecules on unstructured grids.	J. Comput. Physics	2011	DBLP DOI BibTeX RDF
1	Hiromi Nakai, Masato Kobayashi	Linear-scaling electronic structure calculation program based on divide-and-conquer method.	Procedia CS	2011	DBLP DOI BibTeX RDF
1	Ville Havu, Volker Blum, Paula Havu, Matthias Scheffler	Efficient O(N) integration for all-electron electronic structure calculation using numeric basis functions.	J. Comput. Physics	2009	DBLP DOI BibTeX RDF
1	Chao Yang, Juan C. Meza, Byounghak Lee, Lin-Wang Wang	KSSOLV—a MATLAB toolbox for solving the Kohn-Sham equations.	ACM Trans. Math. Softw.	2009	DBLP DOI BibTeX RDF	Kohn-Sham equations, Planewave discretization, direct constrained minimization (DCM), electronic structure calculation, nonlinear eigenvalue problem, pseudopotential, self-consistent field iteration (SCF), density functional theory (DFT)
1	Takeshi Amako, Yusaku Yamamoto, Shao-Liang Zhang	A large-grained parallel algorithm for nonlinear eigenvalue problems and its implementation using OmniRPC.	CLUSTER	2008	DBLP DOI BibTeX RDF
1	Mituhiro Fukuda, Bastiaan J. Braams, Maho Nakata, Michael L. Overton, Jerome K. Percus, Makoto Yamashita, Zhengji Zhao	Large-scale semidefinite programs in electronic structure calculation.	Math. Program.	2007	DBLP DOI BibTeX RDF	81Q05, 68W10, 90C22, 90C06
1	Rui Yang, Alistair P. Rendell, Michael J. Frisch	On the Use of Incomplete LU Decomposition as a Preconditioning Technique for Density Fitting in Electronic Structure Computations.	ICCSA	2007	DBLP DOI BibTeX RDF	ILUT preconditioning, electronic structure calculation, density fitting, Krylov subspace method
1	Siegfried Höfinger	Dynamic Load Equilibration for Cyclic Applications in Distributed Systems.	International Conference on Computational Science	2002	DBLP DOI BibTeX RDF
1	Jen-Shiang K. Yu, Chin-Hui Yu	Benchmarks of the PC-UNIX Computer with Electronic Structure Calculation.	Journal of Chemical Information and Computer Sciences	1997	DBLP DOI BibTeX RDF

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