Collaborative virtual environment

We briefly consider the use of literate programming techniques in enhancing collaborative virtual environments, which facilitate developed cooperation between geographically distributed sites. 

Although this is already possible in room mounted Virtual Environments, such as CAVE-like or workbench environments, these setups are typically optimized for single users. As such, they have a little drawback for the cooperative work of many users. More possibilities result from the idea of Collaborative Virtual Environments (CVE), where more than one Virtual Environment is coupled on an application level and users interact remotely through teleconferencing mechanisms, avatar representations, and specific interaction metaphors. 

Abstract The wave function of Coulson and Fischer is examined within the context of recent developments in quantum chemistry. It is argued that the Coulson-Fischer ansatz establishes a third way in quantum chemistry, which should not be confused with the traditional molecular orbital and valence bond formalisms. The Coulson-Fischer theory is compared with modern valence bond approaches and also modern multireference correlation methods. Because of the non-orthogonality problem which arises when wave functions are constructed from arbitrary orbital products, the application of the Coulson-Fischer method to larger molecules necessitates the introduction of approximation schemes. It is shown that the use of hierarchical orthogonality restrictions has advantages, combining a picture of molecular electronic structure which is an accord with simple, but nevertheless empirical, ideas and concepts, with a level of computational complexity which renders praetieal applications to larger molecules tractable. An open collaborative virtual environment is proposed to foster further development. 

Keywords Coulson-Fischer wave function Coulson-Fischer analysis Coulson-Fischer theory Modern valence bond theory Multireference correlation problem Collaborative virtual environment... 

In the proceedings of the Quantum Systems in Chemistry Physics XII workshop [1], Wilson and Hubac [2] described A Collaborative Virtual Environment for Molecular Electronic Structure Theory involving eight scientists from six countries which was created in order to develop many-body methods based on Brillouin-Wigner theory under the auspices of the eu cost programme. 

In this chapter, we propose the creation of a new collaborative virtual environment for the development of the Coulson-Fischer method for molecular wave functions. It is proposed that this environment should be open. This chapter gives some background to the project. 

In a recent paper [2] entided A Collaborative Virtual Environment for Molecular Electronic Structure Theory, Wilson and Hubac have described how... 

He points to the relatively small number of researchers developing vb methodology, coupled with the lack of coordination of their efforts. The proposed open collaborative virtual environment should facilitate a new level of interaction and coordination but it envisaged that rather than focussing on vb theory, the emphasis should be on the Coulson-Fischer approach - a third way in quantum chemistry. 

Pandzic, I., Sunday, C., Tolga, K., Thalmann, N. M., and Thalmann, D. (1996), Towards Communication in Networked Collaborative Virtual Environment, in Proceedings of the Conference of the FIVE Working Group, PERCRO, Scuola Superiore S. Anna, Pisa, pp. 37-47. 

Pallot M, Bergmann U (2010) Collaborative virtual environments and immersion in distributed engineering contexts. In Kiihnle H (ed) Distributed manufacturing paradigms, concepts, solutions and examples. Springer, London, pp 71-92... 

As well as reviewing progress and prospects of the state-specific Brillouin-Wigner approach, we describe the new methods of communication that were deployed to facilitate effective collaboration between researchers located as geographically distributed sites. A web-based collaborative virtual environment (cvE) was designed for research on molecular electronic structure theory which... 

For an introduction to the field of collaborative virtual environments see, for example, Churchill et al. [19]. 

Digression Collaborative Virtual Environments for Many-Body Brillouin-Wigner Theories... 

In this section, we digress to review the use of collaborative virtual environments in prosecuting research on Brillouin-Wigner methods. ... 

The development of collaborative virtual environments is a key element of what is becoming known as e-science. In 2000, Sir John Taylor, Director General of Research Councils, Office of Science and Technology, UK, wrote... 

We submit that key elements of e-science such as collaborative virtual environments will evolve most rapidly and deliver a functionality required by practicing scientists if they are developed as part of a research project in the target discipline. This is the... 

A collaborative virtual environment for molecular electronic structure theory evolved during research into the use of Brillouin-Wigner methodology in handling the electron correlation problem in molecules. We describe all of the elements of a collaborative virtual environment that we have considered and give a brief assessment of how useful each element turned out to be in practice. Others may find different elements to be more or less useful in their own collaborative work. Others may find elements that we have not listed here to be useful. We believe that collaborative virtual environments will become increasing important in the years ahead. They will undoubtedly be at their most useful when tailored to participants research projects. We are not aware of any previous work which has examined the use of collaborative virtual environments in molecular electronic structure theory or quantum chemistry. 

Our collaborative virtual environment consists of three main elements ... 

We have developed a prototype collaborative virtual environment, which actively supports human-human communication in addition to human-machine conununi-cation, for molecular electronic structure theory. We submit that key elements of e-science, such as collaborative virtual environments, will evolve most rapidly and deliver a functionality required by practicing scientists if they are developed as part of a research project in the target discipline. This is the approach that we have followed in this work. We have developed a collaborative virtual environment for molecular electronic structure theory whilst undertaking research into aspects of the Brillouin-Wigner theory for many-body systems. Others working in molecular physics and quantum chemistry may find this a usefiil starting point for the development of improved environments. Such environments wiU undoubtedly evolve with time as higher bandwidths and new tools become available. 

In more recent work we have found Google Sites [43] to provide a convenient platform for collaborative virtual environments. (See, for example. Fig. 2.6). 

Churchill EF, Snowdon DN, Munro AJ (2001) Collaborative virtual environments digital places and spaces for interaction (Computer supported cooperative work). Springer, London/ New York... 

Hrimech H, Merienne E (2010) Interaction and evaluation tools for collaborative virtual environment. Int J Interact Des Manuf 4 149-156... 

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