【摘 要】
：
Quantum chemical computations have been performed to evaluate the first and second hyperpolarizability quantities of the interference term, linear in the extern
【机 构】
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Laboratoire de Chimie Théorique, Unité de Chimie Physique Théorique et Structurale, Université de Na
【出 处】
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Science China(Chemistry)
论文部分内容阅读
Quantum chemical computations have been performed to evaluate the first and second hyperpolarizability quantities of the interference term, linear in the external static electric field, that appear in the electric field-induced sum-frequency generation signal of chiral liquids. These are performed at the time-dependent Hartree-Fock level on the prototypical 1,1′-bi-2-naphtol chiral species.
Quantum chemical computations have been performed to evaluate the first and second hyperpolarizability quantities of the interference term, linear in the external static electric field, that appear in the electric field-induced sum-frequency generation signal of chiral liquids. These are performed at the time -dependent Hartree-Fock level on the prototypical 1,1’-bi-2-naphtol chiral species.
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