A精确的
发表于 2025-3-23 13:08:50
2191-5407Waals 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
首创精神
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contradict
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协议
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气候
发表于 2025-3-24 03:11:24
Interaction-induced Dipole Moment,In order to evaluate the dipole moment, the finite-field method described by Cohen and Roothaan in (J Chem Phys 43(10):S34–S39, .) is often employed.
肉体
发表于 2025-3-24 08:26:56
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.
circuit
发表于 2025-3-24 13:29:58
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.
Saline
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GNAW
发表于 2025-3-24 20:00:26
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.
尾随
发表于 2025-3-25 00:55:58
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