In this article, we analyse three related preconditioned steepest descent algorithms, which are partially popular in Hartree-Fock and Kohn-Sham theory as well as invariant subspace computations, from the viewpoint of ...In this article, we analyse three related preconditioned steepest descent algorithms, which are partially popular in Hartree-Fock and Kohn-Sham theory as well as invariant subspace computations, from the viewpoint of minimization of the corresponding functionals, constrained by orthogonality conditions. We exploit the geometry of the admissible manifold, i.e., the invariance with respect to unitary transformations, to reformulate the problem on the Grassmann manifold as the admissible set. We then prove asymptotical linear convergence of the algorithms under the condition that the Hessian of the corresponding Lagrangian is elliptic on the tangent space of the Grassmann manifold at the minimizer.展开更多
The factorization of harmonic maps from a simply-connected domain to the unitary group is studied, showing that the theory of isotropic harmonic maps is equivalent to that of 2-unitons. Furthermore, a positive answer ...The factorization of harmonic maps from a simply-connected domain to the unitary group is studied, showing that the theory of isotropic harmonic maps is equivalent to that of 2-unitons. Furthermore, a positive answer is given to the Uhlenbeck’s conjecture on the upper bound of minimal uniton numbers.展开更多
基金supported by the DFG SPP 1445:"Modern and universal first-principles methods for many-electron systems in chemistry and physics" and the EU NEST project BigDFT.
文摘In this article, we analyse three related preconditioned steepest descent algorithms, which are partially popular in Hartree-Fock and Kohn-Sham theory as well as invariant subspace computations, from the viewpoint of minimization of the corresponding functionals, constrained by orthogonality conditions. We exploit the geometry of the admissible manifold, i.e., the invariance with respect to unitary transformations, to reformulate the problem on the Grassmann manifold as the admissible set. We then prove asymptotical linear convergence of the algorithms under the condition that the Hessian of the corresponding Lagrangian is elliptic on the tangent space of the Grassmann manifold at the minimizer.
基金supported by the National Natural Science Foundation of China Natural Science Foundation of Zhejiang Province.
文摘The factorization of harmonic maps from a simply-connected domain to the unitary group is studied, showing that the theory of isotropic harmonic maps is equivalent to that of 2-unitons. Furthermore, a positive answer is given to the Uhlenbeck’s conjecture on the upper bound of minimal uniton numbers.
