Biomedical subjects

A Surkus

Publications and source records attributed to A Surkus.

3 recordsLinked to original sources

PubMed2004

Ground-state potential energy function of SiCl+.

Vibration-rotational (infrared) spectra belonging to four isotopomers of SiCl+ molecular ion in the ground X1Sigma+ electronic state (in total 152 transitions of the fundamental and hot bands up to nu=6) have been reduced to the parameters of the Born-Oppenheimer potential, which is represented in the form of the generalized potential energy function. The dimensionless standard error of the fit is 0.95. The obtained potential is most accurate presently available.

Cations, Monovalent↗

PubMed2002

The radial Hamiltonian for the ground electronic state of KrH+.

All literature vibration-rotational and pure rotational transitions belonging to ten isotopomers of KrH+ in the X'sigma+ state (in total 351 lines) have been used in a iterative nonlinear least-squares fit of compact analytic Born-Oppenheimer potential in the form of generalized potential energy function (GPEF). Additional functions describing the adiabatic and nonadiabatic corrections have also been determined. The obtained radial Hamiltonian reproduces the spectra with sufficiently good accuracy. The GPEF of KrH+ reproduces the experimental value of the dissociation energy, has a correct R(-4) asymptotic behaviour, and reproduces long-range inverse-power potential coefficient C4.

Electrons↗

PubMed2000

Reduction of spectra to parameters of an effective Hamiltonian containing the generalized potential energy function: ground state of ArH+.

Vibrational-rotational and pure rotational spectra belonging to six isotopomers of ArH+ in the ground electronic state (in total 350 transitions spanning more than half of the potential well depth) were reduced to the parameters of an effective Hamiltonian containing the generalized potential-energy function and the adiabatic and nonadiabatic corrections. The dimensionless standard error of the fit is 0.948. The obtained Hamiltonian is most accurate presently available.

Argon↗