Study of the Ground State Dissociation of Diatomic Molecular Systems Using State-Specific Multireference Perturbation Theory: A Brillouin−Wigner Scheme

2010 ◽  
Vol 6 (3) ◽  
pp. 662-682 ◽  
Author(s):  
Uttam Sinha Mahapatra ◽  
Sudip Chattopadhyay ◽  
Rajat K Chaudhuri
Keyword(s):  
Perturbation Theory ◽  
Ground State ◽  
Multireference Perturbation Theory ◽  
Molecular Systems ◽  
State Dissociation

scholarly journals Intruder states in multireference perturbation theory: The ground state of manganese dimer

2009 ◽  
Vol 30 (3) ◽  
pp. 468-478 ◽  
Author(s):  
Cristopher Camacho ◽  
Henryk A. Witek ◽  
Shigeyoshi Yamamoto
Keyword(s):  
Perturbation Theory ◽  
Ground State ◽  
Multireference Perturbation Theory ◽  
Intruder States

Multireference perturbation theory can predict a false ground state

2010 ◽  
Vol 12 (19) ◽  
pp. 5058 ◽  
Author(s):  
Cristopher Camacho ◽  
Renzo Cimiraglia ◽  
Henryk A. Witek
Keyword(s):  
Perturbation Theory ◽  
Ground State ◽  
Multireference Perturbation Theory

scholarly journals Optical spin-state polarization in a binuclear europium complex towards molecule-based coherent light-spin interfaces

2021 ◽  
Vol 12 (1) ◽  
Author(s):  
Kuppusamy Senthil Kumar ◽  
Diana Serrano ◽  
Aline M. Nonat ◽  
Benoît Heinrich ◽  
Lydia Karmazin ◽  
...  
Keyword(s):  
Ground State ◽  
Quantum Information Processing ◽  
Optical Transition ◽  
Molecular Engineering ◽  
Coherent Light ◽  
Nuclear Spins ◽  
Rare Earth Ion ◽  
Molecular Systems ◽  
Homogeneous Linewidth ◽  
State Spin

AbstractThe success of the emerging field of solid-state optical quantum information processing (QIP) critically depends on the access to resonant optical materials. Rare-earth ion (REI)-based molecular systems, whose quantum properties could be tuned taking advantage of molecular engineering strategies, are one of the systems actively pursued for the implementation of QIP schemes. Herein, we demonstrate the efficient polarization of ground-state nuclear spins—a fundamental requirement for all-optical spin initialization and addressing—in a binuclear Eu(III) complex, featuring inhomogeneously broadened 5D0 → 7F0 optical transition. At 1.4 K, long-lived spectral holes have been burnt in the transition: homogeneous linewidth (Γh) = 22 ± 1 MHz, which translates as optical coherence lifetime (T2opt) = 14.5 ± 0.7 ns, and ground-state spin population lifetime (T1spin) = 1.6 ± 0.4 s have been obtained. The results presented in this study could be a progressive step towards the realization of molecule-based coherent light-spin QIP interfaces.

Low-Lying Excited States of C120 and C151: A Multireference Perturbation Theory Study

2010 ◽  
Vol 114 (47) ◽  
pp. 12363-12368 ◽  
Author(s):  
Tetsuya Sakata ◽  
Yukio Kawashima ◽  
Haruyuki Nakano
Keyword(s):  
Perturbation Theory ◽  
Excited States ◽  
Multireference Perturbation Theory
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