TY  - SER
AU  - Kalugina,Yulia N.
AU  - Sunchugashev,Dmitriy A.
AU  - Cherepanov,Victor N.
TI  - Ab initio calculations of electric multipole moments, (higher) polarizabilities and first hyperpolarizabilitiy of (H2S)n, n = 1-4
KW  - мультипольные моменты
KW  - гиперполяризуемость
KW  - димер H2S
KW  - статьи в журналах
N1  - Библиогр.: 49 назв
N2  - In this work, the electric multipole moments  and the polarizabilities , and the first hyperpolarizability  for H2S have been calculated at the MP2, CCSD and CCSD(T)/aug-cc-pVXZ (X = T, Q, 5) levels of theory. The multipole moments were extrapolated to the CBS limit. In addition, the electric properties of H2S and H2S dimer were computed using density functional theory. Some new stable configurations of complexes (H2S)n = 2–4 have been found. New insight has been obtained on the features of the vibrational spectra of considered complexes, and anisotropic and isotropic properties of Raman scattering of H2S dimer
UR  - http://vital.lib.tsu.ru/vital/access/manager/Repository/vtls:000646782
ER  -