Tools for analysing configuration interaction wavefunctions

The configuration interaction (CI) approach to quantum chemical calculations is a well-established means of calculating accurately the solution to the Schrodinger equation for many-electron systems. It represents the many-body electron wavefunction as a sum of spin-projected Slater determinants of orthogonal one-body spin-orbitals. The CI wavefunction becomes the exact solution of the Schrodinger equation as the length of the expansion becomes infinite, however, it is a difficult quantity to visualise and analyse for many-electron problems. We describe a method for efficiently calculating the spin-averaged one- and two-body reduced density matrices rho(psi)((r) over bar; (r) over bar' ) and Gamma(psi)((r) over bar (1), (r) over bar (2); (r) over bar'(1), (r) over bar'(2)) of an arbitrary CI wavefunction Psi. These low-dimensional functions are helpful tools for analysing many-body wavefunctions; we illustrate this for the case of the electron-electron cusp. From rho and Gamma one can calculate the matrix elements of any one- or two-body spin-free operator (O) over cap. For example, if (O) over cap is an applied electric field, this field can be included into the CI Hamiltonian and polarisation or gating effects may be studied for finite electron systems. (C) 2003 Elsevier B.V. All rights reserved.

An automated machine vision system for the histological grading of cervical intraepithelial neoplasia (CIN)

The histological grading of cervical intraepithelial neoplasia (CIN) remains subjective, resulting in inter- and intra-observer variation and poor reproducibility in the grading of cervical lesions. This study has attempted to develop an objective grading system using automated machine vision. The architectural features of cervical squamous epithelium are quantitatively analysed using a combination of computerized digital image processing and Delaunay triangulation analysis; 230 images digitally captured from cases previously classified by a gynaecological pathologist included normal cervical squamous epithelium (n = 30), koilocytosis (n = 46), CIN 1 (n = 52), CIN 2 (n = 56), and CIN 3 (n=46). Intra- and inter-observer variation had kappa values of 0.502 and 0.415, respectively. A machine vision system was developed in KS400 macro programming language to segment and mark the centres of all nuclei within the epithelium. By object-oriented analysis of image components, the positional information of nuclei was used to construct a Delaunay triangulation mesh. Each mesh was analysed to compute triangle dimensions including the mean triangle area, the mean triangle edge length, and the number of triangles per unit area, giving an individual quantitative profile of measurements for each case. Discriminant analysis of the geometric data revealed the significant discriminatory variables from which a classification score was derived. The scoring system distinguished between normal and CIN 3 in 98.7% of cases and between koilocytosis and CIN 1 in 76.5% of cases, but only 62.3% of the CIN cases were classified into the correct group, with the CIN 2 group showing the highest rate of misclassification. Graphical plots of triangulation data demonstrated the continuum of morphological change from normal squamous epithelium to the highest grade of CIN, with overlapping of the groups originally defined by the pathologists. This study shows that automated location of nuclei in cervical biopsies using computerized image analysis is possible. Analysis of positional information enables quantitative evaluation of architectural features in CIN using Delaunay triangulation meshes, which is effective in the objective classification of CIN. This demonstrates the future potential of automated machine vision systems in diagnostic histopathology. Copyright (C) 2000 John Wiley and Sons, Ltd.

The Voice as Transcursive Inscriber: The Relation of Body and Instrument Understood through the Workings of a Machine

This article examines the relationship of the body with a musical instrument; specifically it looks at the vital threshold conditions that occur during the interplay of voice and instrument. By examining the work ‘IKAS’ (1982) for solo saxophone by German composer Hans-Joachim Hespos, the unusual timbral relationships created between vocal and instrumental sounds are exposed. I argue that this particular work highlights the performer/instrument relation as one marked by Gilles Deleuze’s notion of the workings of a machine and a machine’s relation to a ‘flow’, in particular a machine’s function with view to the break in the flow. By turning towards Deleuze’s concept of the machine, this article offers a slightly different vocabulary for music analysis, one that more easily encompasses certain works of the twentieth century, specifically those that are more timbre- than pitch-based.

Reconfiguring Older Bodies in the Prison Time Machine

It is by mapping an area that the geographer comes to understand the contours and formations of a place. The “place” in this case is the prison world. This article serves to map moments in prison demonstrating how “old” female bodies are performed under the prison gaze. In this article I will illustrate how older women subvert, negotiate, or invoke discourse as a means of reinscribing the normalizing discourses that serve to confine and define older women's experiences in prison. Female elders in prison become defined and confined by regimes of femininity and ageism. They have to endure symbolic and actual intrusions of physical privacy, which serve to remind them of what they were, where they are, and what they have become. This article will critically explore the complexity and contradictions of time use in prison and how they impact on embodied identities. By incorporating the voices of elders, I hope to draw out the contradictions and dilemmas which they experience, thereby illustrating the relationship between time, their involvement in doing time, and the performance of time in a total institution (see Goffman, 1961), and the relationship between temporality and existence. The stories of the women show how their identities are caught within the movement and motion of time and space, both in terms of the time of “the real” on the outside and within prison time. This is the in-between space of carceral time within which women live and which they negotiate. It is by being caught in this network of carceral time that they are constantly being “remade” as their body/performance of identities alters within it. While only a small percentage of the female prison population in the United Kingdom are in later life, one has to question why criminological and gerontological literature fail to address the needs of a growing significant minority.