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Waller-hartree ci calculations

✍ Scribed by T. K. Lim; C. G. Jesudason

Publisher
John Wiley and Sons
Year
2009
Tongue
English
Weight
258 KB
Volume
22
Category
Article
ISSN
0020-7608

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Application of the Waller-Hartree method
Application of the Waller-Hartree method to Cl calculations
✍ T.K. Lim; X. Chapuisat 📂 Article 📅 1976 🏛 Elsevier Science 🌐 English ⚖ 313 KB

The Wallcr-Hartrce method is apphcd to perform CI calculations. It results in a generahzation of the method utilizing the symmetric group in tams of "sandwich representations". rcccntly developed by Gallup. The spin dcgcncracy difficuIty isovcrcomc efficiently. Results are prcscnted for tip and comp

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✍ 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

Young operators and the Waller–Hartree s
Young operators and the Waller–Hartree spinfree method
✍ T. K. Lim 📂 Article 📅 1975 🏛 John Wiley and Sons 🌐 English ⚖ 220 KB

## Abstract The basic equivalent transformation **P**^σ^ = (−1)^__p__^ (**P**^__r__^)^−1^ as developed recently [6] is used to transform between the Young operators for a two‐row standard tableau and its conjugate two‐column standard tableau. These Young operators are shown to be the Löwdin spin pr

Spin densities in the Waller–Hartree spi
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✍ T. K. Lim 📂 Article 📅 1975 🏛 John Wiley and Sons 🌐 English ⚖ 197 KB

## 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