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

פרסום מחקרי: פרסום בכתב עת › מאמר › ביקורת עמיתים

תקציר

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.

שפה מקורית	אנגלית
עמודים (מ-עד)	2680-2683
מספר עמודים	4
כתב עת	Physical Review A - Atomic, Molecular, and Optical Physics
כרך	59
מספר גיליון	4
מזהי עצם דיגיטלי (DOIs)	https://doi.org/10.1103/PhysRevA.59.2680
סטטוס פרסום	פורסם - 1999
פורסם באופן חיצוני	כן

גישה למסמך

10.1103/PhysRevA.59.2680

קבצים וקישורים אחרים

Link to publication in Scopus

פורמט ציטוט ביבליוגרפי

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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]

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