TY - JOUR
T1 - Calculation of the Vibrational-Rotational Energy Structure of Molecules with Tetrahedral Symmetry of the Type XY4
AU - Bekhtereva, E. S.
AU - Gromova, O. V.
AU - Raspopova, Natalia Ivanovna
AU - Bolotova, Irina Batorovna
AU - Krivchikova, Yu V.
AU - Berezkin, K. B.
PY - 2014/1/1
Y1 - 2014/1/1
N2 - On the basis of the formalism of irreducible tensor operators in symmetrized form, a Hamiltonian has been constructed, an algorithm has been developed, and a software package has been created that allows the calculation of high-resolution spectra for various polyads of interacting vibrational states and also makes it possible to interpret the spectra and solve the inverse spectroscopic problem for molecules with tetrahedral symmetry.
AB - On the basis of the formalism of irreducible tensor operators in symmetrized form, a Hamiltonian has been constructed, an algorithm has been developed, and a software package has been created that allows the calculation of high-resolution spectra for various polyads of interacting vibrational states and also makes it possible to interpret the spectra and solve the inverse spectroscopic problem for molecules with tetrahedral symmetry.
KW - effective operator model
KW - molecules with tetrahedral symmetry
KW - vibrational-rotational spectra
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U2 - 10.1007/s11182-014-0332-5
DO - 10.1007/s11182-014-0332-5
M3 - Article
AN - SCOPUS:84925504011
VL - 57
SP - 969
EP - 972
JO - Russian Physics Journal
JF - Russian Physics Journal
SN - 1064-8887
IS - 7
ER -