General derivative relations for anharmonic force fields

The brace notation, introduced by Allen and Csaszar (1993, J. chem. Phys., 98, 2983), provides a simple and compact way to deal with derivatives of arbitrary non-tensorial quantities. One of its main advantages is that it builds the permutational symmetry of the derivatives directly into the formalism. The brace notation is applied to formulate the general nth-order Cartesian derivatives of internal coordinates, and to provide closed forms for general, nth-order transformation equations of anharmonic force fields, expressed as Taylor series, from internal to Cartesian or normal coordinate spaces.

Vibrations in the B-4 rhombic structure

A double minimum six-dimensional Potential energy surface (PES) is determined in symmetry coordinates for the most stable rhombic (D-2h) B-4 isomer in its (1)A(g) electronic ground state by fitting to energies calculated ab initio. The PES exhibits a barrier to the D-4h square structure of 255 cm(-1). The vibrational levels (J=0) are calculated variationally using an approach which involves the Watson kinetic energy operator expressed in normal coordinates. The pattern of about 65 vibrational levels up to 1600 cm-1 for all stable isotopomers is analyzed. Analogous to the inversion in ammonia-like molecules, the rhombus rearrangements lead to splittings of the vibrational levels. In B-4 it is the B-1g (D-4h mode which distorts the square molecule to its planar rhombic form. The anharmonic fundamental vibrational transitions of B-11(4) are calculated to be (splittings in parentheses): G(O) = 2352(22) cm(-1), v(1)(A(1g)) - 1136(24) cm(-1,) v(2)(B-1g)=209(144) cm(-1) v(3)(B-2g)=1198(19)cm(-1), v(4)(B-2u) = 271(24) cm(-1), and v(5) (E-u) = 1030( 166) cm(-1) (D-4h notation). Their variations in all stable isotoporners were investigated. Due to the presence of strong anharmonic resonances between the B-1g in-plane distortion and the B-2u, out-of-plane bending modes. the hiaher overtones and combination levels are difficult to assign unequivocally. (C) 2005 American Institute of Physics.

Watching the words: drama and poems

Some poems are inherently dramatic due to their narrative content or the events, characters, places and emotions that are their subject. Others have the potential for dramatisation because of some aural or visual quality of their poetic form. However, if dramatising poems is to be meaningful and effective children need to be taught something about the art form of drama rather than just being left to their own devices. This chapter explores the learning potential of considering the printed text of a poem as a notation of sound, movement, gesture and use of space. The chapter recognises a progression from simple nursery rhymes to the sophisticated use of poetic language in different types of literature that is mirrored in the journey from infants’ clapping games to the dramatic juxtaposition of aural and visual images in theatre and the performing arts.

The capability-affordance model: a method for analysis and modelling of capabilities and affordances

Existing capability models lack qualitative and quantitative means to compare business capabilities. This paper extends previous work and uses affordance theories to consistently model and analyse capabilities. We use the concept of objective and subjective affordances to model capability as a tuple of a set of resource affordance system mechanisms and action paths, dependent on one or more critical affordance factors. We identify an affordance chain of subjective affordances by which affordances work together to enable an action and an affordance path that links action affordances to create a capability system. We define the mechanism and path underlying capability. We show how affordance modelling notation, AMN, can represent affordances comprising a capability. We propose a method to quantitatively and qualitatively compare capabilities using efficiency, effectiveness and quality metrics. The method is demonstrated by a medical example comparing the capability of syringe and needless anaesthetic systems.

Asymptotic Skewness in Exponential Family Nonlinear Models

In this article, we give an asymptotic formula of order n(-1/2), where n is the sample size, for the skewness of the distributions of the maximum likelihood estimates of the parameters in exponencial family nonlinear models. We generalize the result by Cordeiro and Cordeiro ( 2001). The formula is given in matrix notation and is very suitable for computer implementation and to obtain closed form expressions for a great variety of models. Some special cases and two applications are discussed.

SPECIAL CHARACTERIZATIONS OF STANDARD DISCRETE MODELS

This article presents important properties of standard discrete distributions and its conjugate densities. The Bernoulli and Poisson processes are described as generators of such discrete models. A characterization of distributions by mixtures is also introduced. This article adopts a novel singular notation and representation. Singular representations are unusual in statistical texts. Nevertheless, the singular notation makes it simpler to extend and generalize theoretical results and greatly facilitates numerical and computational implementation.

Systemutveckling för riskbaserad tillsyn : Hur verksamhetsanalys på praktikteoretisk grund kan användas för kravfångst

Denna studie har utförts vid en myndighet som bedriver statlig tillsyn över det svenska järnvägssystemet. När myndigheten beslutade att deras tillsyn skulle vara riskbaserad uppstod behov att se över och eventuellt förändra myndighetens verksamhetsprocesser utifrån ett riskbaserat synsätt. Arbetet med denna licentiatavhandling, som har skett i form av praktikforskning, har sin grund i två förändringsprojekt som var starkt påverkade av den bärande idén om riskbaserad tillsyn. Av denna anledning fanns ett behov att karaktärisera riskbaserad tillsyn. Detta skedde med hjälp av verksamhetsanalys på praktikteoretisk grund vars resultat formulerades i en verksamhetsteori för riskbaserad tillsyn. På ett övergripande plan handlar riskbaserad tillsyn om att integrera riskhantering i myndighetens tillsynsprocesser. Denna licentiatavhandling är skriven inom ämnet informationssystemsutveckling och det problem som undersöks är hur man kan fånga kraven på ett verksamhetsstödjande informationssystem med hjälp av en verksamhetsanalys på praktikteoretisk grund. Tesen för arbetet är att de krav som identifieras i en verksamhetsanalys på praktikteoretisk grund bör kunna användas i det fortsatta kravarbetet. Därför är spårbarhet mellan verksamhetsanalysens dokumentation och den fortsatta kravhanteringen i ett systemutvecklingsprojekt en viktig egenskap. Spårbarheten undersöks genom att två av myndighetens utvecklingsprojekt som var inriktade på att utveckla både verksamheten och nya informationssystem analyseras. Att uppnå spårbarhet är en del av tillvägagångssättet när informationssystem utvecklas. I denna licentiatavhandling beskrivs tillvägagångssättet utifrån tre metodegenskaper: arbetssätt (vilka frågor som ställs), notation (hur kraven dokumenteras) och arbetsformer (vilka tekniker för datainsamling som används). Det är alltså inte bara spårbarhet (som ingår i metodegenskapen notation) som är intressant att studera närmare utan hela tillvägagångssättet i verksamhetsanalysen. Studien har bedrivits i form av praktikforskning och det innebär att tre bidrag har producerats: 1) ett bidrag till den lokala praktiken, dvs. till myndigheten; 2) ett bidrag till den generella praktiken, dvs. till andra verksamheter som bedriver statlig tillsyn men även praktiker som arbetar med verksamhets- respektive systemutveckling inkluderas i den generella praktiken; samt 3) ett bidrag till akademin. Bidraget till den lokala praktiken är genomförandet av utvecklingsprojekten och deras resultat. Bidraget till den generella praktiken inom verksamhetsutveckling är verksamhetsanalysen som resulterar i en verksamhetsteori för riskbaserad tillsyn. Bidraget till praktiker inom systemutveckling är kravanalysen som visar hur en verksamhetsanalys på praktikteoretisk grund kan användas för att fånga krav på ett verksamhetsstödjande informationssystem. Kravanalysen öppnar även för möjligheter att söka efter krav på ett informationssystem utan att verksamhetsanalysen fokuserar informationssystemet. Bidraget till akademin består också av kravanalysen som med hjälp av fyra kravkategorier härleder spårbarhet mellan verksamhetsteorin för riskbaserad tillsyn och kravdokumentation från de studerade projekten. Det andra bidraget till akademin är ett önskvärt tillvägagångssätt för att genomföra en praktikteoretisk verksamhetsanalys för riskbaserad tillsyn.

A Compositional Semantics of UML-RSDS

This paper provides a semantics for the UML-RSDS (Reactive System Development Support) subset of UML, using the real-time action logic (RAL) formalism. We show how this semantics can be used to resolve some ambiguities and omissions in UML semantics, and to support reasoning about specifications using the B formal method and tools. We use `semantic profiles' to provide precise semantics for different semantic variation points of UML. We also show how RAL can be used to give a semantics to notations for real-time specification in UML. Unlike other approaches to UML semantics, which concentrate on the class diagram notation, our semantic representation has behaviour as a central element, and can be used to define semantics for use cases, state machines and interactions, in addition to class diagrams.

Mechanising first-order temporal resolution

First-order temporal logic is a concise and powerful notation, with many potential applications in both Computer Science and Artificial Intelligence. While the full logic is highly complex, recent work on monodic first-order temporal logics has identified important enumerable and even decidable fragments. Although a complete and correct resolution-style calculus has already been suggested for this specific fragment, this calculus involves constructions too complex to be of practical value. In this paper, we develop a machine-oriented clausal resolution method which features radically simplified proof search. We first define a normal form for monodic formulae and then introduce a novel resolution calculus that can be applied to formulae in this normal form. By careful encoding, parts of the calculus can be implemented using classical first-order resolution and can, thus, be efficiently implemented. We prove correctness and completeness results for the calculus and illustrate it on a comprehensive example. An implementation of the method is briefly discussed.

Monodic Temporal Resolution

First-order temporal logic is a coincise and powerful notation, with many potential applications in both Computer Science and Artificial Intelligence. While the full logic is highly complex, recent work on monodic first-order temporal logics have identified important enumerable and even decidable fragments. In this paper we present the first resolution-based calculus for monodic first-order temporal logic. Although the main focus of the paper is on establishing completeness result, we also consider implementation issues and define a basic loop-search algorithm that may be used to guide the temporal resolution system.

Handling Equality in Monodic Temporal Resolution

First-order temporal logic is a concise and powerful notation, with many potential applications in both Computer Science and Artificial Intelligence. While the full logic is highly complex, recent work on monodic first-order temporal logics has identified important enumerable and even decidable fragments including the guarded fragment with equality. In this paper, we specialise the monodic resolution method to the guarded monodic fragment with equality and first-order temporal logic over expanding domains. We introduce novel resolution calculi that can be applied to formulae in the normal form associated with the clausal resolution method, and state correctness and completeness results.

Towards the Implementation of First-Order Temporal Resolution: the Expanding Domain Case

First-order temporal logic is a concise and powerful notation, with many potential applications in both Computer Science and Artificial Intelligence. While the full logic is highly complex, recent work on monodic first-order temporal logics has identified important enumerable and even decidable fragments. In this paper, we develop a clausal resolution method for the monodic fragment of first-order temporal logic over expanding domains. We first define a normal form for monodic formulae and then introduce novel resolution calculi that can be applied to formulae in this normal form. We state correctness and completeness results for the method. We illustrate the method on a comprehensive example. The method is based on classical first-order resolution and can, thus, be efficiently implemented.

The insurance function of contracts

One of the central problems in contract law is to define the frontier between legal and illegal breaches of promises. The distinction between good and bad faith is perhaps the conceptual tool most commonly used to tell one from the other. Lawyers spend a lot of energy trying to frame better definitions of the concepts of good and bad faith based on principles of ethics or justice, but often pay much less attention to theories dealing with the incentives that can engender good faith behavior in contractual relationships. By describing the economics of what Stiglitz defined as “explicit” and “implicit” insurance, I highlight the “insurance function” hidden in any promise with basically no mathematical notation. My aim is to render the subject intelligible and useful to lawyers with little familiarity with economics.

Contractual solutions to the holdup problem: a survey

In this survey, we presented the general idea and main results from what we understand that are the most important contributions to contractual solutions to the holdup problem literature. The aim of this paper is to push the previous analysis, uniform the notation and provide a snapshot on the most recent literature, as well as bring topics for future inquires on this issue.