Constructing approximatively diabatic states from LCAO-SCF-CI calculations

manifold optimization, Stiefel manifold, nonsmooth, proximal gradient method, iteration complexity, semismooth Newton method, sparse PCA, compressed modes.. AMS

Global existence of strong solutions to the compressible Navier–Stokes equations, with small initial data, in the presence of initial vacuum, was first proved by Huang, Li, and Xin

Recently, the notion of memory-efficient represen- tations of the orthonormal basis matrices of the second-order and higher-order Krylov subspaces was generalized to the model

Shu , Stability analysis and a priori error estimates to the third order explicit Runge-Kutta discontinuous Galerkin method for scalar conservation laws, SIAM J. Redistribution

Finally, we apply some spectral properties of M -tensors to study the positive definiteness of a class of multivariate forms associated with Z -tensors.. We propose an algorithm

Then, making use of this fractional calculus, we introduce the generalized definition of Caputo derivatives. The new definition is consistent with various definitions in the

In the first set of testing, we present several numerical tests to show the sharpness of these upper bounds, and in the second set, we integrate our upper bound estimates into

For the direct adaptation of the alternating direction method of multipliers, we show that if the penalty parameter is chosen sufficiently large and the se- quence generated has a