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

2 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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title = "Nonadiabatic coupling using a corrected Born-Oppenheimer basis: The vibronic spectrum of [Formula Presented]",

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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N2 - 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.

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.

UR - https://www.scopus.com/pages/publications/0346269524

U2 - 10.1103/PhysRevA.59.2680

DO - 10.1103/PhysRevA.59.2680

M3 - Article

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SN - 1050-2947

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JO - Physical Review A - Atomic, Molecular, and Optical Physics

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IS - 4

ER -

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

Abstract

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