A refined potential energy function for the electronic ground state of H2Se

On precise determination of structural and dynamic characteristics of the hydrogen selenide molecule from experimental data

“…Judging from the confidence intervals and the smallest r.m.s. deviationσ in reconstruction of the harmonic frequencies, we achieved some improvement of the results as compared with [6]. Table 2 shows the harmonic frequencies (experimental and reconstructed ones) based on the data from Table 1.…”

“…(6) are linear relative to f ijk . As the initial ones, further we used the experimental data (α β λ ) exp for two isotopic modifications of the molecule, H 2 Se and HDSe.…”

“…(6) in the initial form can be used. Solving the overdetermined system of linear equations (6) yields the values of the cubic parameters of the hydrogen selenide molecule, which are presented in Table 3. From Table 3, it is seen that all parameters …”

“…the MORBID method [4][5][6], the global fitting method [7,8], and many others). Without discussing them here in detail, we will note only that along with their merits, all these methods have some disadvantages.…”

An analysis of a superweak absorption spectrum of the SO2 molecule using the variational procedure

“…One can assume to a high probability that they belong to the superweak hot band, 2ν 1 +ν 2 +ν 3 −ν 2 ,whose assignment by the classical methods is impossible. For this reason, based on the concept reported in [3], we derived a computer procedure allowing us to assign these superweak spectrum. It is well known [4,5] that the Hamiltonian of an asymmetric top molecule (SO 2 is one of them) is given by the following: …”