TY - JOUR
T1 - Nonadiabatic coupling using a corrected Born-Oppenheimer basis
T2 - The vibronic spectrum of [Formula Presented]
AU - Tuvi-Arad, Inbal
AU - Band, Y. B.
PY - 1999
Y1 - 1999
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 - http://www.scopus.com/inward/record.url?scp=0346269524&partnerID=8YFLogxK
U2 - 10.1103/PhysRevA.59.2680
DO - 10.1103/PhysRevA.59.2680
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AN - SCOPUS:0346269524
SN - 1050-2947
VL - 59
SP - 2680
EP - 2683
JO - Physical Review A - Atomic, Molecular, and Optical Physics
JF - Physical Review A - Atomic, Molecular, and Optical Physics
IS - 4
ER -