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Floquet gauge-invariant coupled perturbation theory in calculations of the optical susceptibilities of molecules

✍ Scribed by A. V. Shtoff; M. Rérat

Book ID
110134264
Publisher
SP MAIK Nauka/Interperiodica
Year
2003
Tongue
English
Weight
75 KB
Volume
94
Category
Article
ISSN
0030-400X

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Gauge invariant gaussian orbitals and th
Gauge invariant gaussian orbitals and the ab initio calculation of diamagnetic susceptibility for molecules
✍ G. G. Hall 📂 Article 📅 1973 🏛 John Wiley and Sons 🌐 English ⚖ 440 KB

## Abstract It is shown that gauge terms can be introduced into the Gaussian functions used as the basis functions for an __ab initio__ calculation of the energy of a molecule in the presence of a uniform magnetic field so that all the integrals become independent of the origin of the vector potent