Interaction-induced Electric Properties of van der Waals by Victor N. Cherepanov, Yulia N. Kalugina, Mikhail A. Buldakov
By Victor N. Cherepanov, Yulia N. Kalugina, Mikhail A. Buldakov
This short explains the speculation of the interaction-induced electric houses of van der Waals complexes. It makes a speciality of the interaction-induced electric dipole moments, polarizabilities and primary hyperpolarizabilities of atom-atomic, atom-molecular and molecular-molecular van der Waals complexes.
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Additional resources for Interaction-induced Electric Properties of van der Waals Complexes
In this ﬁgure the long-range analytical calculations, analytical calculations with taking into account the exchange contribution and the CCSD(T) calculations of the dipole moment components for conﬁgurations 3, 4 and 5 are given. 94 Eh aÀ6 0 for interacting methane and dinitrogen molecules is taken from Ref. . 2). The exchange contribution to the dipole moment for considered conﬁgurations was found by ﬁtting lexch to the difference between a ab initio and long-range calculations in the range of potential well for each conﬁguration.
Phys. 34(5), 1215– 1235 (1977) 96. F. Mulder, M. S. Wormer, A. van der Avoird, Ab initio studies of long range interactions between ethylene molecules in the multipole expansion. Theor. Chim. Acta 46(1), 39–62 (1977) 97. S. Wormer, F. Mulder, A. van der Avoird, Quantum theoretical calculations of van der Waals interactions between molecules. Anisotropic long range interactions. Int. J. Quant. Chem. 11(6), 959–970 (1977) 98. P. Coulon, R. W. Lekkerkerker, Approximate calculation of the dynamic polarizabilities and dispersion interaction for ethylene molecules.
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