Double and Triple Photoionization of CCl₄ by Antônio Carlos Fontes dos Santos, Joselito Barbosa Maciel, Alexandre Braga Rocha, Gerardo Gerson Bezerra de Souza

Subjects: “…self-consistent and multireference configuration interaction…”
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Small Polaron-Induced Ultrafast Ferroelectric Restoration in BiFeO_{3} by Wenfan Chen, Tian Wang, Chun-Chieh Yu, Yuancheng Jing, Xiaosong Li, Wei Xiong

“…However, a timescale comparison suggests that only the polaron formation is responsible for the 0.5 ps electronic dipole restoration, whereas the faster electronic relaxation does not contribute to the ferroelectric property changes. Multireference configuration interaction calculation further corroborates this result by showing both Fe and Bi atoms shift from the ground state equilibrium—leading to the polaron formation. …”
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Theoretical laser cooling feasibility study of ZrH molecule at the fine structure level by Ghina Chamieh, Lokman Awad, Nayla El-Kork, Mahmoud Korek

“…A theoretical electronic structure calculation of the ZrH molecule is conducted via ab initio Complete Active Space Self-Consistent Field and the Multireference Configuration Interaction with Davidson correction calculation (CASSCF/MRCI + Q). …”
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An <i>Ab Initio</i> Electronic Structure Investigation of the Ground and Excited States of ScH⁺, YH⁺, and LaH⁺ by Isuru R. Ariyarathna

“…Multireference configuration interaction (MRCI), Davidson-corrected MRCI (MRCI+Q), coupled-cluster singles, doubles, and perturbative triples [CCSD(T)], and frozen-core full configuration interaction (fcFCI) calculations were carried out using large, correlation-consistent basis sets to investigate the excited states of the Sc atom and the spin–free and spin–orbit coupled potential energy profiles, energetics, spectroscopic constants, and electron populations of low-lying states of MH<sup data-eusoft-scrollable-element="1">+</sup> (M = Sc, Y, La). …”
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