Sfoglia per Soggetto "Two-state model"
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Static second-hyperpolarizability of diffuse electron cyclic compounds M2A2 (M = Be, Mg, Ca; A = Li, Na, K): Effect of basis set and electron correlation
(2019)In the present work, a number of cyclic planar molecules M2A2 (M = Be, Mg, Ca; A = Li, Na, K)are considered to calculate second-hyperpolarizability using HF, MP2, CCSD, CCSD(T)and DFT methods and 6-311++G(d,p), Sadlej-pVTZ, ...