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The Waller–Hartree double determinant in quantum chemistry

✍ Scribed by Ruben Pauncz

Publisher
John Wiley and Sons
Year
1989
Tongue
English
Weight
148 KB
Volume
35
Category
Article
ISSN
0020-7608

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📜 SIMILAR VOLUMES

Spin densities in the Waller–Hartree spi
Spin densities in the Waller–Hartree spin-free method
✍ 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

Many-electron theory in the Waller–Hartr
Many-electron theory in the Waller–Hartree spin-free method
✍ 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