Since 2006, I am developing the novel tensor-structured (TS) methods,
in application to electronic structure calculations. (Algorithms and programs
in Matlab.)
The main advantage of the TS methods is the rank-structured grid-based evaluation of the 3D and 6D
convolution integrals (with the Newton potential) in 1D complexity.
Recent topics:
New!
Grid-based two-electron integrals in a general basis, with near-analytical precision (2012).
Fast and accurate calculation of the Laplace and nuclear potential parts of the Fock operator
in a general basis, using 3D Cartesian grids ~1310723 (2011).
"Black-Box" 3D solver for the Hartree-Fock equation using the multilevel tensor-structured methods (2009-2011),
(by calculating the Hartree and exchange operators "on the fly", on a sequence of 3D grids).
Multigrid accelerated rank-structured calculation of the Hartree and exchange
operators in the Hartree-Fock equation (2007-2009).
Low-rank representation of function related 3D tensors by the multigrid full-to-Tucker +
Tucker-to-canonical transfrom.
Robust 3D tensor rank reduction method by the multigrid canonical-to-Tucker + Tucker-to-canonical transform,
in 1D complexity.(2007-2008)
Reduced high-order singular value decomposition (by SVD of canonical side matrices)(2007).
Tucker decomposition of function related 3D tensors (2006).
Contact
Tel.: ++49 341-99 59 761
e-mail: Venera.Khoromskaia@mis.mpg.de
Address:
Venera Khoromskaia
Max-Planck-Institute for Mathematics in the Sciences
Inselstr., 22-26, D-04103,
Leipzig, Germany
