We have developed a Scalable Linear Augmented Slater-Type Orbital (LASTO) method for electronic-structure calculations on free-standing atomic clusters. As with other linear methods we solve the Schrödinger equation using a mixed basis set consisting of numerical functions inside atom-centered spheres and matched onto tail functions outside. The tail functions are Slater-type orbitals, which ar...

Symmetry-and spin-restricted self-consistent-eld (SCF) theory by the basis-function expansion technique was rst developed and implemented by C. C. J. Roothaan and coworkers at the University of Chicago 1{3]. They applied the theory principally to atoms 3, 4] and linear molecules 5{7] using Slater-orbital expansions. Applications to nonlinear molecules becamevery extensive once eeective Gaussian...

This work extends the concept of seniority number, which has been widely used for classifying N-electron Slater determinants, to wave functions of N electrons and spin S, as well as to N-electron spin-adapted Hilbert spaces. We propose a spin-free formulation of the seniority number operator and perform a study on the behavior of the expectation values of this operator under transformations of ...

The Simulation Interoperability Standards Organization (SISO) and the NATO Science and Technology Organization (STO) have since 2005 had activities to interface military command and control (C2) systems with simulation systems. This paper describes a new and highly promising way to combine NATO partners’ C2 systems and simulation systems into a system of systems that is capable of supporting mi...

The amplitude and periodicity of the re#ection high-energy electron di!raction (RHEED) oscillations displayed strong temperature dependence in homoepitaxy of SrTiO 3 (STO) "lms. Combining with the AFM observations, the results suggest that the oscillations are not directly related to the layer-by-layer growth. ( 2000 Elsevier Science B.V. All rights reserved.

A word class often neglected in the field of NLP resources, namely adverbs, has lately been described in a computational lexicon produced at CST as one of the results of a Ph.D.-project. The adverb lexicon, which is integrated in the Danish STO lexicon, gives detailed syntactic information on the type of modification and position, as well as on other syntactic properties of approx 800 Danish ad...

The US Army's High-Fidelity Ground Platform and Terrain Mechanics Modeling (HGTM) Science and Technology Objective (STO) (IV.GC.2003.01) is developing methods to facilitate the creation and application of high fidelity, real-time, ground platform mobility and terrain models. The models are applicable to warfighter in the loop virtual experiments investigating methods of mitigating the effects o...

The US Army's High-Fidelity Ground Platform and Terrain Mechanics Modeling (HGTM) Science and Technology Objective (STO) (IV.GC.2003.01) is developing methods to facilitate the creation and application of high fidelity, real-time, ground platform mobility and terrain models. The models are applicable to warfighter in the loop virtual experiments investigating methods of mitigating the effects o...

This paper describes the lemma selection process of a Danish computational lexicon, the STO project, for domain specific language and focuses on some specific problems encountered during the lemma selection process. After a short introduction to the STO project and an explanation of why the lemmas are selected from a corpus and not chosen from existing dictionaries, the lemma selection process ...