Titlebook: Interaction-induced Electric Properties of van der Waals Complexes; Victor N. Cherepanov,Yulia N. Kalugina,Mikhail A. Book 2017 The Autho

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2191-5407 Waals complexes. It focuses on the interaction-induced electrical dipole moments, polarizabilities and first hyperpolarizabilities of atom-atomic, atom-molecular and molecular-molecular van der Waals complexes.978-3-319-49030-4978-3-319-49032-8Series ISSN 2191-5407 Series E-ISSN 2191-5415

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Interaction-induced Dipole Moment,In order to evaluate the dipole moment, the finite-field method [see Eq. (.)] described by Cohen and Roothaan in (J Chem Phys 43(10):S34–S39, .) is often employed.

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Interaction-induced Polarizability,The methods for computation of molecular polarizability are implemented now in many well-known modern quantum chemical codes. Some of their features will be discussed in the next Section.

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Conclusion,The comparison of ab initio calculations with results obtained in the long-range approximation shows that the analytical calculations may be effectively used for description of the interacting energy, dipole moment, polarizability and first hyperpolarizability of the considered interacting molecules for . > ~10 a.u.

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Book 2017This brief explains the theory of the interaction-induced electrical properties of van der Waals complexes. It focuses on the interaction-induced electrical dipole moments, polarizabilities and first hyperpolarizabilities of atom-atomic, atom-molecular and molecular-molecular van der Waals complexes.

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