v-=SUB=-2-=/SUB=--зависимость вращательных вкладов в эффективный дипольный момент молекулы Н-=SUB=-2-=/SUB=-О и их влияние на уширение и сдвиг линий давлением буферных газов
В. И. Стариков
Abstract
Open-access reader
В. И. Стариков
Abstract
Open-access reader
The dependence of rotational correction terms of the effective dipole moment of H2O molecule on the vibrational quantum number v2 which corresponds to the large amplitude motion is obtained in the numerical calculations. Different dipole surfaces of H2O molecule as well as different intra-molecular potentials were used. The effect of the rotational corrections on the calculated line broadening and line shifts by Ar, Kr, H2 and He pressure was analyzed. It is shown that this effect is significant for a shifting of pure rotational lines and rovibrational lines for which the difference in rotational quantum number Ka from the initial and final states of the transition greater (or equal) to three.
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The dependence of rotational correction terms of the effective dipole moment of H2O molecule on the vibrational quantum number v2 which corresponds to the large amplitude motion is obtained in the numerical calculations. Different dipole surfaces of H2O molecule as well as different intra-molecular potentials were used. The effect of the rotational corrections on the calculated line broadening and line shifts by Ar, Kr, H2 and He pressure was analyzed. It is shown that this effect is significant for a shifting of pure rotational lines and rovibrational lines for which the difference in rotational quantum number Ka from the initial and final states of the transition greater (or equal) to three.
Key concepts: Rotational–vibrational spectroscopy, Dipole, Atomic physics, Quantum number, Line (geometry), Moment (physics), Transition dipole moment, Physics