Effective dipole-moment operator for nonrigid H2X-type molecules. Application to H2O / V. I. Starikov , S. N. Mikhailenko
Уровень набора: Journal of Molecular Structure = 1957-Язык: английский.Страна: .Резюме или реферат: A theory of the transformed dipole moment operator for nonrigid H2X-type molecules has been worked out using the method of contact transformation. The treatment takes into account the large amplitude bending motion, which is described by the coordinate ℮. Formulae obtained for the transformed dipole moment operator for bending vibration quantum bands and for combination bands have been used for the determination of the functions µex(℮), µ1x(℮) and µ3z(℮) from the expansion of the molecular fixed component µa(℮, q) (a = x, y, z) of the electric dipole moment of the H2O molecule over q normal coordinates. Some different model forms for this function have been used..Аудитория: .Тематика: электронный ресурс | труды учёных ТПУ Ресурсы он-лайн:Щелкните здесь для доступа в онлайнНет реальных экземпляров для этой записи
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A theory of the transformed dipole moment operator for nonrigid H2X-type molecules has been worked out using the method of contact transformation. The treatment takes into account the large amplitude bending motion, which is described by the coordinate ℮. Formulae obtained for the transformed dipole moment operator for bending vibration quantum bands and for combination bands have been used for the determination of the functions µex(℮), µ1x(℮) and µ3z(℮) from the expansion of the molecular fixed component µa(℮, q) (a = x, y, z) of the electric dipole moment of the H2O molecule over q normal coordinates. Some different model forms for this function have been used.
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