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TDHF Evaluation of the Dipole−Quadrupole Polarizability and Its Geometrical Derivatives

✍ Scribed by Quinet, Olivier; Liégeois, Vincent; Champagne, Benoît


Book ID
119955910
Publisher
American Chemical Society
Year
2005
Tongue
English
Weight
134 KB
Volume
1
Category
Article
ISSN
1549-9618

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Inclusion of the quadrupole moment when
✍ Asbjørn Holt; Gunnar Karlström 📂 Article 📅 2008 🏛 John Wiley and Sons 🌐 English ⚖ 84 KB 👁 1 views

## Abstract A method to compute distributed dipole–quadrupole polarizabilities is suggested. The method is based on numerical differentiation of distributed quadrupole moments, using finite field perturbation calculations. It is tested using two different multicenter multipole expansions, and compa