Study of the stretching vibrational band intensities of XH4 molecules employing four-dimensional ab initio (X=C and Sn) and effective (X=C and Si) dipole moment surfaces

Sheng Gui He; An Wen Liu; Hai Lin; Shui Ming Hu; Jing Jing Zheng; Lu Yuan Hao; Qing Shi Zhu

doi:10.1063/1.1520130

Study of the stretching vibrational band intensities of XH₄ molecules employing four-dimensional ab initio (X=C and Sn) and effective (X=C and Si) dipole moment surfaces

Sheng Gui He, An Wen Liu, Hai Lin, Shui Ming Hu, Jing Jing Zheng, Lu Yuan Hao, Qing Shi Zhu

Chemistry (Twin Cities)

Research output: Contribution to journal › Article › peer-review

4 Scopus citations

Abstract

Ab initio and effective four-dimensional (4-D) stretching dipole moment surface (DMS) were applied to three group IV hydrides (CH₄, SiH₄, and SnH₄). As a result, it was possible to achieve another angle of view of the local mode feature about the vibrations in the XH₄ species, in addition to energy levels.

Original language	English (US)
Pages (from-to)	10073-10080
Number of pages	8
Journal	Journal of Chemical Physics
Volume	117
Issue number	22
DOIs	https://doi.org/10.1063/1.1520130
State	Published - Dec 8 2002

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10.1063/1.1520130

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title = "Study of the stretching vibrational band intensities of XH4 molecules employing four-dimensional ab initio (X=C and Sn) and effective (X=C and Si) dipole moment surfaces",

abstract = "Ab initio and effective four-dimensional (4-D) stretching dipole moment surface (DMS) were applied to three group IV hydrides (CH4, SiH4, and SnH4). As a result, it was possible to achieve another angle of view of the local mode feature about the vibrations in the XH4 species, in addition to energy levels.",

author = "He, {Sheng Gui} and Liu, {An Wen} and Hai Lin and Hu, {Shui Ming} and Zheng, {Jing Jing} and Hao, {Lu Yuan} and Zhu, {Qing Shi}",

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doi = "10.1063/1.1520130",

language = "English (US)",

volume = "117",

pages = "10073--10080",

journal = "Journal of Chemical Physics",

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T1 - Study of the stretching vibrational band intensities of XH4 molecules employing four-dimensional ab initio (X=C and Sn) and effective (X=C and Si) dipole moment surfaces

AU - He, Sheng Gui

AU - Liu, An Wen

AU - Lin, Hai

AU - Hu, Shui Ming

AU - Zheng, Jing Jing

AU - Hao, Lu Yuan

AU - Zhu, Qing Shi

PY - 2002/12/8

Y1 - 2002/12/8

N2 - Ab initio and effective four-dimensional (4-D) stretching dipole moment surface (DMS) were applied to three group IV hydrides (CH4, SiH4, and SnH4). As a result, it was possible to achieve another angle of view of the local mode feature about the vibrations in the XH4 species, in addition to energy levels.

AB - Ab initio and effective four-dimensional (4-D) stretching dipole moment surface (DMS) were applied to three group IV hydrides (CH4, SiH4, and SnH4). As a result, it was possible to achieve another angle of view of the local mode feature about the vibrations in the XH4 species, in addition to energy levels.

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U2 - 10.1063/1.1520130

DO - 10.1063/1.1520130

M3 - Article

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VL - 117

SP - 10073

EP - 10080

JO - Journal of Chemical Physics

JF - Journal of Chemical Physics

SN - 0021-9606

IS - 22

ER -

Study of the stretching vibrational band intensities of XH₄ molecules employing four-dimensional ab initio (X=C and Sn) and effective (X=C and Si) dipole moment surfaces

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