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Tensor numerical methods in grid-based electronic structure calculations
时间  Datetime
2017-04-13 15:00 — 16:00 
地点  Venue
Large Conference Room
报告人  Speaker
Venera Khoromskaia
单位  Affiliation
Max-Planck-Institute for Mathematics in the Sciences
邀请人  Host
张镭
报告摘要  Abstract
Novel tensor numerical methods are based on representation of d-variate functions and opera-tors on large n?d grids in the rank-structured tensor formats which provide O(dn) complexityof numerical calculations instead of O(nd) by conventional methods. A starting point wasour Hartree-Fock solver based on the tensor-structured calculation of the two-electron inte-grals, the Laplace and nuclear potential operators, using a Gausssian-type basis, discretizedon n