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1 Wilson, Stephen The Effects of Relativity in Atoms, Molecules, and the Solid State I05357 1991 eBook  
2 Wilson, Stephen Problem Solving in Computational Molecular Science I04374 1997 eBook  
3 Wilson, Stephen Methods in Computational Molecular Physics I03856 1992 eBook  
4 Diercksen, Geerd H.F Methods in Computational Molecular Physics I03103 1983 eBook  
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TitleThe Effects of Relativity in Atoms, Molecules, and the Solid State
Author(s)Wilson, Stephen;Grant, I.P;Gyorffy, B.L
PublicationNew York, NY, Springer US, 1991.
DescriptionVIII, 352 p : online resource
Abstract NoteRecent years have seen a growing interest in the effects of relativity in atoms, molecules and solids. On the one hand, this can be seen as result of the growing awareness of the importance of relativity in describing the properties of heavy atoms and systems containing them. This has been fueled by the inadequacy of physical models which either neglect relativity or which treat it as a small perturbation. On the other hand, it is dependent upon the technological developments which have resulted in computers powerful enough to make calculations on heavy atoms and on systems containing heavy atoms meaningful. Vector processing and, more recently, parallel processing techniques are playing an increasingly vital role in rendering the algorithms which arise in relativistic studies tractable. This has been exemplified in atomic structure theory, where the dominant role of the central nuclear charge simplifies the problem enough to permit some prediction to be made with high precision, especially for the highly ionized atoms of importance in plasma physics and in laser confinement studies. Today's sophisticated physical models of the atom derived from quantum electrodynamics would be intractable without recourse to modern computational machinery. Relativistic atomic structure calculations have a history dating from the early attempts of Swirles in the mid 1930's but continue to provide one of the primary test beds of modern theoretical physics
ISBN,Price9781461537021
Keyword(s)1. Atomic, Molecular, Optical and Plasma Physics 2. ATOMS 3. EBOOK 4. EBOOK - SPRINGER 5. MATHEMATICAL PHYSICS 6. PHYSICS 7. Theoretical, Mathematical and Computational Physics
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I05357     On Shelf    

2.     
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TitleProblem Solving in Computational Molecular Science : Molecules in Different Environments
Author(s)Wilson, Stephen;Diercksen, Geerd H.F
PublicationDordrecht, Springer Netherlands, 1997.
DescriptionIX, 416 p : online resource
Abstract NoteFor all practical purposes the basic physical equations governing the behaviour of a system at the molecular level can only be solved approximately. The key issue in any reliable and accurate computational study in molecular physics and quantum chemistry is the adoption of a suitable model which contains the essential physics and chemistry, is computationally tractable, and preferably amenable to systematic refinement. The provision of advice on the choice of an appropriate model for a specific problem has so far received scant attention. This issue is becoming acute as `standard' software packages are becoming widely available and are being increasingly heavily used in both the academic and industrial sectors by researchers who have received no special training in the theoretical physics and chemistry that underpins them. This volume provides researchers whose background may not be in the computational molecular sciences with the necessary background to make intelligent use of the methods available by performing reliable calculations of appropriate accuracy and making a considered interpretation of the data so obtained
ISBN,Price9789400900394
Keyword(s)1. Atomic, Molecular, Optical and Plasma Physics 2. ATOMS 3. CONDENSED MATTER 4. CONDENSED MATTER PHYSICS 5. EBOOK 6. EBOOK - SPRINGER 7. PHYSICAL CHEMISTRY 8. PHYSICS
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3.     
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TitleMethods in Computational Molecular Physics
Author(s)Wilson, Stephen;Diercksen, Geerd H.F
PublicationNew York, NY, Springer US, 1992.
DescriptionXIV, 551 p. 35 illus : online resource
Abstract NoteThis volume records the lectures given at a NATO Advanced Study Institute on Methods in Computational Molecular Physics held in Bad Windsheim, Germany, from 22nd July until 2nd. August, 1991. This NATO Advanced Study Institute sought to bridge the quite considerable gap which exist between the presentation of molecular electronic structure theory found in contemporary monographs such as, for example, McWeeny's Methods 0/ Molecular Quantum Mechanics (Academic Press, London, 1989) or Wilson's Electron correlation in moleeules (Clarendon Press, Oxford, 1984) and the realization of the sophisticated computational algorithms required for their practical application. It sought to underline the relation between the electronic structure problem and the study of nuc1ear motion. Software for performing molecular electronic structure calculations is now being applied in an increasingly wide range of fields in both the academic and the commercial sectors. Numerous applications are reported in areas as diverse as catalysis and interstellar chernistry, drug design and environmental studies, molecular biology and solid state physics. The range of applications continues to increase as scientists recognize the importance of molecular structure studies to their research activities. Recent years have seen a growing dependence of these applications on program packages, which are often not in the public domain and which may have a somewhat lirnited range of applicability dicta ted by the particular interests and prejudices of the program author
ISBN,Price9781461574194
Keyword(s)1. Atomic, Molecular, Optical and Plasma Physics 2. ATOMS 3. COMPUTER SCIENCE 4. Computer Science, general 5. EBOOK 6. EBOOK - SPRINGER 7. MATHEMATICAL PHYSICS 8. PHYSICS 9. Theoretical, Mathematical and Computational Physics
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4.    
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TitleMethods in Computational Molecular Physics
Author(s)Diercksen, Geerd H.F;Wilson, Stephen
PublicationDordrecht, Springer Netherlands, 1983.
DescriptionVII, 367 p : online resource
Abstract NoteThis NATO Advanced Study Institute was concerned with modern ab initio methods for the determination of the electronic structure of molecules. Recent years have seen considerable progress in computer technology and computer science and these developments have had a very significant influence on computational molecular physics. Progress in computer technology has led to increasingly larger and faster systems as well as powerful minicomputers. Simultaneous research in computer science has explored new methods for the optimal use of these resources. To a large extent develop?? ments in computer technology, computer science and computational molecular physics have been mutually dependent. The availability of new computational resources, particularly minicomputers and, more recently, vector processors, has stimulat'ed a great deal of research in molecular physics. Well established techniques have been reformulated to make more efficient use of the new computer technology and algorithms which were previously computationally intractable have now been successfully implemented. This research has given a new and exciting insight into molecular structure and molecular processes by enabling smaller systems to be studied in greater detail and larger systems to be studied for the first time
ISBN,Price9789400972001
Keyword(s)1. Atomic, Molecular, Optical and Plasma Physics 2. ATOMS 3. EBOOK 4. EBOOK - SPRINGER 5. PHYSICS
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I03103     On Shelf    

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