Cette publication ne fait pas partie de la bibliothèque YouScribe
Elle est disponible uniquement à l'achat (la librairie de YouScribe)
Achetez pour : 141,45 € Lire un extrait

Téléchargement

Format(s) : PDF

avec DRM

Hyperspherical Harmonics and Generalized Sturmians

De
0 page

The method of many-electron Sturmians offers an interesting alternative to the usual SCF-CI methods for calculating atomic and molecular structure. When many-electron Sturmians are used, and when the basis potential is chosen to be the attractive potential of the nuclei in the system, the following advantages are offered: the matrix representation of the nuclear attraction potential is diagonal; the kinetic energy term vanishes from the secular equation; the Slater exponents of the atomic orbitals are automatically optimized; convergence is rapid; a correlated solution to the many-electron problem can be obtained directly, without the use of the SCF approximation; and excited states can be obtained with good accuracy.

Voir plus Voir moins

Vous aimerez aussi

Contents
Introduction
Acknowledgements
1 MANY-PARTICLE STURMIANS
2 MOMENTUM-SPACE WAVE FUNCTIONS
3 HYPERSPHERICAL HARMONICS
4THE MOMENTUM-SPACE WAVE EQUATION
5
6
7
8
MANY-CENTER POTENTIALS
ITERATION OF THE WAVE EQUATION
MOLECULAR STURMIANS
RELATIVISTIC EFFECTS
A Generalized Slater-Condon Rules
B
Coulomb and exchange integrals for atoms
Solutions to the exercises
Bibliography
Index
1
6
7
23
33
59
75
95
109
119
133
136
141
163
193
Un pour Un
Permettre à tous d'accéder à la lecture
Pour chaque accès à la bibliothèque, YouScribe donne un accès à une personne dans le besoin