Nonadiabatic coupling using a corrected Born-Oppenheimer basis: The vibronic spectrum of [Formula Presented]

Inbal Tuvi; Y. B. Band

doi:10.1103/PhysRevA.59.2680

Nonadiabatic coupling using a corrected Born-Oppenheimer basis: The vibronic spectrum of [Formula Presented]

Inbal Tuvi, Y. B. Band

Department of Chemistry

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

1 Scopus citations

Abstract

We apply a method suggested by Delos [Rev. Mod. Phys. 53, 287 (1981)] to correct the Born-Oppenheimer basis by incorporation of proper boundary conditions for bound states of molecular systems. We calculate the correct nonadiabatic coupling matrix elements for [Formula Presented] and its isotopic variants and use them to determine the [Formula Presented] vibronic spectrum.

Original language	English
Pages (from-to)	2680-2683
Number of pages	4
Journal	Physical Review A - Atomic, Molecular, and Optical Physics
Volume	59
Issue number	4
DOIs	https://doi.org/10.1103/PhysRevA.59.2680
State	Published - 1 Jan 1999

ASJC Scopus subject areas

Atomic and Molecular Physics, and Optics

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10.1103/PhysRevA.59.2680

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abstract = "We apply a method suggested by Delos [Rev. Mod. Phys. 53, 287 (1981)] to correct the Born-Oppenheimer basis by incorporation of proper boundary conditions for bound states of molecular systems. We calculate the correct nonadiabatic coupling matrix elements for [Formula Presented] and its isotopic variants and use them to determine the [Formula Presented] vibronic spectrum.",

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AB - We apply a method suggested by Delos [Rev. Mod. Phys. 53, 287 (1981)] to correct the Born-Oppenheimer basis by incorporation of proper boundary conditions for bound states of molecular systems. We calculate the correct nonadiabatic coupling matrix elements for [Formula Presented] and its isotopic variants and use them to determine the [Formula Presented] vibronic spectrum.

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Nonadiabatic coupling using a corrected Born-Oppenheimer basis: The vibronic spectrum of [Formula Presented]

Abstract

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