It is well known that in any ab initio molecular orbital (MO) calculation, the major task involves the computation of molecular integrals, among which the computation of three-center nuclear attraction and Coulomb int...
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It is well known that in any ab initio molecular orbital (MO) calculation, the major task involves the computation of molecular integrals, among which the computation of three-center nuclear attraction and Coulomb integrals is the most frequently encountered. As the molecular system becomes larger, computation of these integrals becomes one of the most laborious and time-consuming steps in molecular systems calculation. Improvement of the computational methods of molecular integrals would be indispensable to further development in computational studies of large molecular systems. To develop fast and accurate algorithms for the numerical evaluation of these integrals over B functions, we used nonlinear transformations for improving convergence of highly oscillatory integrals. These methods form the basis of new methods for solving various problems that were unsolvable otherwise and have many applications as well. To apply these nonlinear transformations, the integrands should satisfy linear differential equations with coefficients having asymptotic power series in the sense of Poincare, which in their turn should satisfy some limit conditions. These differential equations are very difficult to obtain explicitly. In the case of molecular integrals, we used a symbolic programming language (MAPLE) to demonstrate that all the conditions required to apply these nonlinear transformation methods are satisfied. Differential equations are obtained explicitly, allowing us to demonstrate that the limit conditions are also satisfied. (c) 2005 Wiley Periodicals, Inc.
The proceedings contain 42 papers. The topics discussed include: interface-based rate analysis of embeded systems;an emprical evaluation of memory management alternatives for real-time Java;programming execution-time ...
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ISBN:
(纸本)0769527612
The proceedings contain 42 papers. The topics discussed include: interface-based rate analysis of embeded systems;an emprical evaluation of memory management alternatives for real-time Java;programming execution-time servers in Ada 2005;faster verification of RTL-specified systems via decomposition and constraint extension;hard real-time hybrid garbage collection with low memory requirements;parallel real-time task scheduling on multicore platforms;an optical real-time scheduling algorithm for multiprocessors;a pattern for adaptive behavior in safety-critical, real-time middleware;distributed utilization control for real-time clusters with load balancing;optimal dimensioning of a constant bandwidth server;a necessary and sometimes sufficient condition for the feasibility of sets of sporadic hard-deadline tasks;process-aware interrupt scheduling and accounting;and design of location service for a hybrid network of mobile actors and static sensors.
Mobile application development requires many techniques unfamiliar to the general PC developer due to the limitations presented by the mobile platforms. Unlike the PC environment where hardware capabilities can easily...
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The globalization of software development helps to reduce business cost by outsourcing software design and development tasks. However, it also poses new challenges on the collaboration and management of the developmen...
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ISBN:
(纸本)0769527264
The globalization of software development helps to reduce business cost by outsourcing software design and development tasks. However, it also poses new challenges on the collaboration and management of the development teams at multiple remote sites. Service-oriented approaches facilitate web-based collaborations and reuses. In this paper, we propose a service-oriented architecture for the collaboration of software design teams in distributed locations. In particular, our approach allows different design teams from multiple remote sites to design software systems with design patterns, to evolve the designs, and to check the consistencies of the design evolutions. We provide service-oriented prototype tools for the design teams from different physical locations to model the software system designs in UML, to evolve the designs based on XSLT transformations, and to check the consistencies based on the Java Theorem Prover. A case study is presented to illustrate our approach.
We extend the open answer set semantics for programs with generalized literals. Such extended programs (EPs) have interesting properties, e.g. the ability to express infinity axioms - EPs that have but infinite answer...
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ISBN:
(纸本)3540317821
We extend the open answer set semantics for programs with generalized literals. Such extended programs (EPs) have interesting properties, e.g. the ability to express infinity axioms - EPs that have but infinite answer sets. However, reasoning under the open answer set semantics, in particular satisfiability checking of a predicate w.r.t. a program, is already undecidable for programs without generalized literals. In order to regain decidability, we restrict the syntax of EPs such that both rules and generalized literals are guarded, Via a translation to guarded fixed point logic (pGF), in which satisfiability checking is 2-EXPTIME-complete, we deduce 2-EXPTIME-completeness of satisfiability checking in such guarded EPs (GEPs). Bound GEPs are restricted GEPs with EXPTIME-Complete satisfiability checking, but still sufficiently expressive to optimally simulate computation tree logic (CTL). We translate Datalog LITE programs to GEPs, establishing equivalence of GEPs under an open answer set semantics, alternation-free pGF, and DatalOg LITE. Finally, we discuss W-restricted logic programs under an open answer set semantics.
The development of efficient parallel out-of-core applications is often tedious, because of the need to explicitly manage the movement of data between files and data structures of the parallel program. Several large-s...
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Rule-based systems are a promising means to specify interface standards for artificial intelligence tools and modules for games, as advocated by the international Came Developers Association. Rules, however, can be to...
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ISBN:
(纸本)3540454624
Rule-based systems are a promising means to specify interface standards for artificial intelligence tools and modules for games, as advocated by the international Came Developers Association. Rules, however, can be too flexible, allowing undisciplined and "dirty" programming styles and solutions. We advocate in this paper that although rules are a good starting point towards standardising artificial intelligence techniques in games, they must be complemented with automatically verifiable rule schemata to ensure the appropriate implementation of such techniques and theories. We illustrate our point with a specific rule-based implementation of a theory of norms for synthetic characters which enables the specification of sophisticated behaviours.
Context aware intelligent agents are key components in the development of pervasive systems. In this paper, we present an extension of a BDI programming language to support ontological reasoning and ontology-based spe...
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STAIRS 2006 is the third European Starting AI Researcher symposium, an international meeting aimed at AI researchers, from all countries, at the beginning of their career: PhD students or people holding a PhD for less...
ISBN:
(数字)9781607501909
ISBN:
(纸本)9781586036454
STAIRS 2006 is the third European Starting AI Researcher symposium, an international meeting aimed at AI researchers, from all countries, at the beginning of their career: PhD students or people holding a PhD for less than one year. The topics of the papers included range from traditional AI areas to AI applications, such as Agents, Automated Reasoning, Belief Revision, Case-based Reasoning, Constraints, Data Mining & Information Extraction, Genetic Algorithms, Human Computer Interaction, Interactive Sensory systems (Speech, Multi-Model Processing), Knowledge Representation, Logic programming, Machine Learning, Natural Language Processing, Neural Networks, Nonmonotonic Reasoning, Planning & Scheduling, Reasoning about Action and Change, Robotics, Search, Semantic Web, Spatial & Temporal Reasoning and Uncertainty.
This first Educators' symposium of the conference on Model Driven Engineering Languages and systems (MoDELS - formerly the UML series of conferences) was intended as a forum to foster discussion and the exchange o...
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