Dissociation dynamics of Ar3 in the time-dependent self-consistent field (TDSCF) approximation

V. Buch; R. B. Gerber; M. A. Ratner

doi:10.1016/0009-2614(83)80302-9

Dissociation dynamics of Ar₃ in the time-dependent self-consistent field (TDSCF) approximation

V. Buch^*, R. B. Gerber, M. A. Ratner

^*Corresponding author for this work

Institute of Chemistry

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

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Abstract

The TDSCF approximation is applied to dissociation of Ar₃, which exhibits strong-coupling behavior (efficient internal energy transfer). The TDSCF results are in excellent agreement with those of exact classical dynamics. Combined with earlier findings for weak-coupling cases, this suggests validity of TDSCF for dissociation at all coupling strengths.

Original language	English
Pages (from-to)	44-48
Number of pages	5
Journal	Chemical Physics Letters
Volume	101
Issue number	1
DOIs	https://doi.org/10.1016/0009-2614(83)80302-9
State	Published - 7 Oct 1983

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title = "Dissociation dynamics of Ar3 in the time-dependent self-consistent field (TDSCF) approximation",

abstract = "The TDSCF approximation is applied to dissociation of Ar3, which exhibits strong-coupling behavior (efficient internal energy transfer). The TDSCF results are in excellent agreement with those of exact classical dynamics. Combined with earlier findings for weak-coupling cases, this suggests validity of TDSCF for dissociation at all coupling strengths.",

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AU - Ratner, M. A.

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N2 - The TDSCF approximation is applied to dissociation of Ar3, which exhibits strong-coupling behavior (efficient internal energy transfer). The TDSCF results are in excellent agreement with those of exact classical dynamics. Combined with earlier findings for weak-coupling cases, this suggests validity of TDSCF for dissociation at all coupling strengths.

AB - The TDSCF approximation is applied to dissociation of Ar3, which exhibits strong-coupling behavior (efficient internal energy transfer). The TDSCF results are in excellent agreement with those of exact classical dynamics. Combined with earlier findings for weak-coupling cases, this suggests validity of TDSCF for dissociation at all coupling strengths.

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Dissociation dynamics of Ar₃ in the time-dependent self-consistent field (TDSCF) approximation

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