Systematic Study of Selected Diagonalization Methods for Configuration Interaction Matrices

Several modifications to the Davidson algorithm are systematically explored to establish their performance for an assortment of configuration interaction (CI) computations. The combination of a generalized Davidson method, a periodic two‐vector subspace collapse, and a blocked Davidson approach for multiple roots is determined to retain the convergence characteristics of the full subspace method. This approach permits the efficient computation of wave functions for large‐scale CI matrices by eliminating the need to ever store more than three expansion vectors ( b _i) and associated matrix‐vector products ( σ _i), thereby dramatically reducing the I/O requirements relative to the full subspace scheme. The minimal‐storage, single‐vector method of Olsen is found to be a reasonable alternative for obtaining energies of well‐behaved systems to within μE_h accuracy, although it typically requires around 50% more iterations and at times is too inefficient to yield high accuracy (ca. 10^?10 E_h) for very large CI problems. Several approximations to the diagonal elements of the CI Hamiltonian matrix are found to allow simple on‐the‐fly computation of the preconditioning matrix, to maintain the spin symmetry of the determinant‐based wave function, and to preserve the convergence characteristics of the diagonalization procedure. © 2001 John Wiley & Sons, Inc. J Comput Chem 22: 1574–1589, 2001     

The Campbell- Hausdorff Series of Local Analytic Bruck Loops

The class of local analyitic Bruck loops (or equivalently K-loops) is strongly related to locally symmetric spaces. In particular, both have Lie triple systems as their tangent algebra. In this paper, we consider the existence and some properties of the Campbell-Hausdorff series of local analytic Bruck loops (K-loops). This formula can be used to determine the local symmetries of the associated symmetric space.     

Description of the Real von Neumann Algebras with Abelian Skew-Symmetric Part

In this note we describe (up to isomorphism) the real von Neiman algebras R with Abelian skew-symmetric part , i.e., such that xy-yx=0 for any .     

Maximally Symmetric Trees

We characterize the best model geometries for the class of virtually free groups, and we show that there is a countable infinity of distinct best model geometries in an appropriate sense – these are the maximally symmetric trees. The first theorem gives several equivalent conditions on a bounded valence, cocompact tree T without valence 1 vertices saying that T is maximally symmetric. The second theorem gives general constructions for maximally symmetric trees, showing for instance that every virtually free group has a maximally symmetric tree for a model geometry.     

On Formality of a Class of Compact Homogeneous Spaces

We prove the formality property of any homogeneous space G/G generated by an automorphism of finite order of a compact simple Lie group G.     

Blow-up of semilinear pde's at the critical dimension. A probabilistic approach

We present a probabilistic approach which proves blow-up of solutions of the Fujita equation in the critical dimension . By using the Feynman-Kac representation twice, we construct a subsolution which locally grows to infinity as . In this way, we cover results proved earlier by analytic methods. Our method also applies to extend a blow-up result for systems proved for the Laplacian case by Escobedo and Levine (1995) to the case of -Laplacians with possibly different parameters .

     

Complex crowns of Riemannian symmetric spaces and non-compactly causal symmetric spaces

In this paper we define a distinguished boundary for the complex crowns of non-compact Riemannian symmetric spaces . The basic result is that affine symmetric spaces of can appear as a component of this boundary if and only if they are non-compactly causal symmetric spaces.

     

Why Does the Geometric Product Simplify the Equations of Physics?

In the last decades it was observed that Clifford algebras and geometric product provide a model for different physical phenomena. We propose an explanation of this observation based on the theory of bounded symmetric domains and the algebraic structure associated with them. The invariance of physical laws is a result of symmetry of the physical world that is often expressed by the symmetry of the state space for the system implying that this state space is a symmetric domain. For example, the ball of all possible velocities is a bounded symmetric domain. The symmetry on this ball follow from the symmetry of the space-time transformations between two inertial systems, which fixes the so-called symmetric velocity between them. The Lorenz transformations acts on the ball Sof symmetric velocities by conformal transformations. The ball Sis a spin ball (type IV in Cartan's classification). The Lie algebra of this ball is defined a triple product that is closely related to geometric product. The relativistic dynamic equations in mechanics and for the Lorenz force is described by this Lie algebra and the triple product.     

Characterization of Certain Holomorphic Geodesic Cycles on Quotients of Bounded Symmetric Domains in terms of Tangent Subspaces

Let be an irreducible bounded symmetric domain and Aut() be a torsion-free discrete group of automorphisms, X /. We study the problem of algebro-geometric and differential-geometric characterizations of certain compact holomorphic geodesic cycles S X. We treat special cases of the problem, pertaining to a situation in which S is a compact holomorphic curve, and to the case where is a classical domain dual to the hyperquadric. In both cases we consider algebro-geometric characterizations in terms of tangent subspaces. As a consequence we derive effective pinching theorems where certain complex submanifolds S X are proven to be totally geodesic whenever their scalar curvatures are pinched between certain computed universal constants, independent of the volume of the submanifold S, giving new examples of the gap phenomenon for the characterization of compact holomorphic geodesic cycles.Research funded by a CERG grant from Research Grants Council of Hong Kong.