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SYMMETRY-ADAPTED BASIS SETS: Automatic Generation for Problems in Chemistry and Physics - Hardcover

Avery John Scales

 
9789814350464: SYMMETRY-ADAPTED BASIS SETS: Automatic Generation for Problems in Chemistry and Physics
Hardcover
ISBN 10: 981435046X ISBN 13: 9789814350464
Verlag: World Scientific, 2011

Inhaltsangabe

In theoretical physics, theoretical chemistry and engineering, one often wishes to solve partial differential equations subject to a set of boundary conditions. This gives rise to eigenvalue problems of which some solutions may be very difficult to find. For example, the problem of finding eigenfunctions and eigenvalues for the Hamiltonian of a many-particle system is usually so difficult that it requires approximate methods, the most common of which is expansion of the eigenfunctions in terms of basis functions that obey the boundary conditions of the problem. The computational effort needed in such problems can be much reduced by making use of symmetry-adapted basis functions. The conventional method for generating symmetry-adapted basis sets is through the application of group theory, but this can be difficult. This book describes an easier method for generating symmetry-adapted basis sets automatically with computer techniques. The method has a wide range of applicability, and can be used to solve difficult eigenvalue problems in a number of fields. The book is of special interest to quantum theorists, computer scientists, computational chemists and applied mathematicians.

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In theoretical physics, theoretical chemistry and engineering, one often wishes to solve partial differential equations subject to a set of boundary conditions. This gives rise to eigenvalue problems of which some solutions may be very difficult to find. For example, the problem of finding eigenfunctions and eigenvalues for the Hamiltonian of a many-particle system is usually so difficult that it requires approximate methods, the most common of which is expansion of the eigenfunctions in terms of basis functions that obey the boundary conditions of the problem. The computational effort needed in such problems can be much reduced by making use of symmetry-adapted basis functions. The conventional method for generating symmetry-adapted basis sets is through the application of group theory, but this can be difficult. This book describes an easier method for generating symmetry-adapted basis sets automatically with computer techniques. The method has a wide range of applicability, and can be used to solve difficult eigenvalue problems in a number of fields. The book is of special interest to quantum theorists, computer scientists, computational chemists and applied mathematicians.

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Verlag
World Scientific
Erscheinungsdatum
2011
Sprache
Englisch
ISBN 10 
981435046X
ISBN 13 
9789814350464
Einband
Gebundene Ausgabe
Anzahl der Seiten
242
Kontakt zum Hersteller
Nicht verfügbar
Verantwortliche Person
GPSR Kontakt
gpsr@libri.de

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