Calculation of the vibrational frequency and line strength versus applied field of carbon monoxide

José Luis Andrés; Miquel Duran; Agustí Lledós; Juan Bertrán

doi:10.1016/0301-0104(91)80004-2

Calculation of the vibrational frequency and line strength versus applied field of carbon monoxide

José Luis Andrés, Miquel Duran, Agustí Lledós, Juan Bertrán

Departament de Química

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Resum

Analytic determination of dipole moment derivatives with respect to nuclear displacements (and hence infrared intensities) are discussed for closed-shell wave functions under the influence of an external uniform electric field. The method is applied to the ground state of the CO molecule. The calculated vibrational Stark tuning rate and the effect of the applied field on the line intensity are compared with experimental data. © 1991.

Idioma original	Anglès
Pàgines (de-a)	37-43
Revista	Chemical Physics
Volum	151
Número	1
DOIs	https://doi.org/10.1016/0301-0104(91)80004-2
Estat de la publicació	Publicada - 1 de març 1991

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10.1016/0301-0104(91)80004-2

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title = "Calculation of the vibrational frequency and line strength versus applied field of carbon monoxide",

abstract = "Analytic determination of dipole moment derivatives with respect to nuclear displacements (and hence infrared intensities) are discussed for closed-shell wave functions under the influence of an external uniform electric field. The method is applied to the ground state of the CO molecule. The calculated vibrational Stark tuning rate and the effect of the applied field on the line intensity are compared with experimental data. {\textcopyright} 1991.",

author = "Andr{\'e}s, {Jos{\'e} Luis} and Miquel Duran and Agust{\'i} Lled{\'o}s and Juan Bertr{\'a}n",

year = "1991",

month = mar,

day = "1",

doi = "10.1016/0301-0104(91)80004-2",

language = "English",

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pages = "37--43",

journal = "Chemical Physics",

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T1 - Calculation of the vibrational frequency and line strength versus applied field of carbon monoxide

AU - Andrés, José Luis

AU - Duran, Miquel

AU - Lledós, Agustí

AU - Bertrán, Juan

PY - 1991/3/1

Y1 - 1991/3/1

N2 - Analytic determination of dipole moment derivatives with respect to nuclear displacements (and hence infrared intensities) are discussed for closed-shell wave functions under the influence of an external uniform electric field. The method is applied to the ground state of the CO molecule. The calculated vibrational Stark tuning rate and the effect of the applied field on the line intensity are compared with experimental data. © 1991.

AB - Analytic determination of dipole moment derivatives with respect to nuclear displacements (and hence infrared intensities) are discussed for closed-shell wave functions under the influence of an external uniform electric field. The method is applied to the ground state of the CO molecule. The calculated vibrational Stark tuning rate and the effect of the applied field on the line intensity are compared with experimental data. © 1991.

U2 - 10.1016/0301-0104(91)80004-2

DO - 10.1016/0301-0104(91)80004-2

M3 - Article

SN - 0301-0104

VL - 151

SP - 37

EP - 43

JO - Chemical Physics

JF - Chemical Physics

IS - 1

ER -

Calculation of the vibrational frequency and line strength versus applied field of carbon monoxide

Resum

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