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physics.chem-ph2001
GRECP/5e-MRD-CI calculation of the electronic structure of PbH
T. A. Isaev, N. S. Mosyagin, A. V. Titov +2
The correlation calculation of the electronic structure of PbH is carried out with the Generalized Relativistic Effective Core Potential (GRECP) and MultiReference single- and Doub…
physics.chem-ph2001
GRECP/RCC calculation of the spectroscopic constants for the HgH molecule and its cation
N. Mosyagin, A. Titov, E. Eliav +1
Generalized relativistic effective core potential (GRECP) calculations of spectroscopic constants of the HgH molecule ground and low excited states and the HgH+ cation ground state…