## Generalized Sturmians and Atomic Spectra

Research output: Book/Report › Book

#### Standard

**Generalized Sturmians and Atomic Spectra.** / Avery, James Emil; Avery, John.

Research output: Book/Report › Book

#### Harvard

*Generalized Sturmians and Atomic Spectra*. 1 edn, World Scientific.

#### APA

*Generalized Sturmians and Atomic Spectra*. (1 ed.) World Scientific.

#### Vancouver

#### Author

#### Bibtex

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#### RIS

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