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Orthogonal Waller–Hartree spin eigenfunctions

✍ Scribed by Tiong-Koon Lim

Publisher
John Wiley and Sons
Year
1987
Tongue
English
Weight
276 KB
Volume
31
Category
Article
ISSN
0020-7608

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Waller–Hartree spin-free method
Waller–Hartree spin-free method
✍ T. K. Lim 📂 Article 📅 1974 🏛 John Wiley and Sons 🌐 English ⚖ 656 KB

## Abstract In this paper we show that with the equivalent transformation **P**^__r__^ = (−1)^__P__^(**P**^σ^)^−1^ the spin function dependent methods such as Slater's method without group theory or Goddard's method with group theory differ only in different antisymmetric requirements from the pres

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## Abstract Spin densities in the Waller–Hartree spin‐free method were found to be the same as in the spin‐projected Slater determinant method. The reduced spin projector **__Q__** is introduced and its relation with the spin projector **__P__** is discussed. An equation is obtained to show that a

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✍ T. K. Lim 📂 Article 📅 1977 🏛 John Wiley and Sons 🌐 English ⚖ 270 KB

## Abstract The relations between the Waller–Hartree spin‐free method and the symmetric group theory are given. It is shown that the Gallup method is a special case of ours with __S__ = __M__. Furthermore, all the irreducible representation matrices and other matrices needed are written explicitly

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✍ T. K. Lim 📂 Article 📅 1976 🏛 John Wiley and Sons 🌐 English ⚖ 305 KB

## Abstract A many‐electron theory is developed for the determination of pure spin state wave‐functions and energies to avoid the difficulties in doing integration. The Waller–Hartree pure spin state wave‐functions are very convenient for this purpose. The required explicit formulas for the values

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✍ J. S. Murty; C. R. Sarma 📂 Article 📅 1975 🏛 John Wiley and Sons 🌐 English ⚖ 436 KB

## Abstract A method for the construction of the essentially idempotent and Hermitian diagonal elements of the matric algebra of the permutation group __S__~__n__~ is proposed. For the irreducible representation [λ] = [λ~1~, λ~2~] characterising a spin state __S__ of an __n__‐electron system, it is