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Symmetry-adapted basis sets: automatic generation for problems in chemistry and physics

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 eigenfunc...

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Detalles Bibliográficos
Autores principales: Avery, John Scales, Rettrup, Sten, Avery, James Emil
Lenguaje:eng
Publicado: World Scientific 2012
Materias:
Acceso en línea:http://cds.cern.ch/record/1442886
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author Avery, John Scales
Rettrup, Sten
Avery, James Emil
author_facet Avery, John Scales
Rettrup, Sten
Avery, James Emil
author_sort Avery, John Scales
collection CERN
description 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
id cern-1442886
institution Organización Europea para la Investigación Nuclear
language eng
publishDate 2012
publisher World Scientific
record_format invenio
spelling cern-14428862021-04-22T00:28:35Zhttp://cds.cern.ch/record/1442886engAvery, John ScalesRettrup, StenAvery, James EmilSymmetry-adapted basis sets: automatic generation for problems in chemistry and physicsInformation Transfer and ManagementIn 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 World Scientificoai:cds.cern.ch:14428862012
spellingShingle Information Transfer and Management
Avery, John Scales
Rettrup, Sten
Avery, James Emil
Symmetry-adapted basis sets: automatic generation for problems in chemistry and physics
title Symmetry-adapted basis sets: automatic generation for problems in chemistry and physics
title_full Symmetry-adapted basis sets: automatic generation for problems in chemistry and physics
title_fullStr Symmetry-adapted basis sets: automatic generation for problems in chemistry and physics
title_full_unstemmed Symmetry-adapted basis sets: automatic generation for problems in chemistry and physics
title_short Symmetry-adapted basis sets: automatic generation for problems in chemistry and physics
title_sort symmetry-adapted basis sets: automatic generation for problems in chemistry and physics
topic Information Transfer and Management
url http://cds.cern.ch/record/1442886
work_keys_str_mv AT averyjohnscales symmetryadaptedbasissetsautomaticgenerationforproblemsinchemistryandphysics
AT rettrupsten symmetryadaptedbasissetsautomaticgenerationforproblemsinchemistryandphysics
AT averyjamesemil symmetryadaptedbasissetsautomaticgenerationforproblemsinchemistryandphysics