Generalized Sturmians and Atomic Spectra
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Generalized Sturmians and Atomic Spectra. / Avery, James Emil; Avery, John.
1 ed. World Scientific, 2006. 240 p.Research output: Book/Report › Book › Research › peer-review
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TY - BOOK
T1 - Generalized Sturmians and Atomic Spectra
AU - Avery, James Emil
AU - Avery, John
PY - 2006
Y1 - 2006
N2 - This book describes the generalized Sturmian method, which offers a fresh approach to the calculation of atomic spectra. Generalized Sturmians are isoenergetic solutions to an approximate many-electron Schrödinger equation with a weighted potential. The weighting factors are chosen in such a way as to make all of the solutions correspond to a given energy. The advantage of such an isoenergetic basis set is that every basis function has the correct turning point behaviour needed for efficient synthesis of the wave function.The book also discusses methods for automatic generation of symmetry-adapted basis sets. Calculations using the generalized Sturmian method are presented and compared with experimental results from the NIST Atomic Spectra Database. The relationship of Sturmians to harmonic polynomials and hyperspherical harmonics is also described. Methods for treating angular functions and angular integrals by means of harmonic projection are discussed, and these methods are shown to be especially useful for relativistic calculations. A final chapter discusses application of the generalized Sturmian method to the calculation of molecular spectra.
AB - This book describes the generalized Sturmian method, which offers a fresh approach to the calculation of atomic spectra. Generalized Sturmians are isoenergetic solutions to an approximate many-electron Schrödinger equation with a weighted potential. The weighting factors are chosen in such a way as to make all of the solutions correspond to a given energy. The advantage of such an isoenergetic basis set is that every basis function has the correct turning point behaviour needed for efficient synthesis of the wave function.The book also discusses methods for automatic generation of symmetry-adapted basis sets. Calculations using the generalized Sturmian method are presented and compared with experimental results from the NIST Atomic Spectra Database. The relationship of Sturmians to harmonic polynomials and hyperspherical harmonics is also described. Methods for treating angular functions and angular integrals by means of harmonic projection are discussed, and these methods are shown to be especially useful for relativistic calculations. A final chapter discusses application of the generalized Sturmian method to the calculation of molecular spectra.
KW - Faculty of Science
KW - atomfysik
KW - atomspektre
KW - kvantekemi
KW - sturm-baser
KW - den generalisede Sturm-metode
KW - sfærisk harmoniske funktioner
KW - hypersfærisk harmoniske funktioner
KW - harmoniske polynomier
KW - goscinskian
KW - Fock-projektion
KW - hyperangulær integrationsformel
KW - kvanteteori
KW - matematik
KW - Schrödingerligning
KW - atomic physics
KW - atomic spectra
KW - quantum chemistry
KW - sturmians
KW - generalized Sturmian method
KW - spherical harmonics
KW - hyperspherical harmonics
KW - harmonic polynomials
KW - goscinskian
KW - Fock-projection
KW - large-Z approximation
KW - hyperangular integration formula
KW - quantum theory
KW - mathematics
KW - Schrödinger equation
M3 - Book
SN - 9812568069
BT - Generalized Sturmians and Atomic Spectra
PB - World Scientific
ER -
ID: 1678773