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• W1991362415 abstract "A parabolic interpolation function of time is proposed to evaluate the non-adiabatic coupling matrix elements and the adiabatic energies at intermediate times within the classical time integration interval in hybrid quantum/classical simulations. The accuracy and the computational efficiency of this parabolic approximation are illustrated by carrying out a numerical application to the well-studied vibrational relaxation of I2 in liquid xenon." @default.
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• W1991362415 date "2009-03-01" @default.
• W1991362415 modified "2023-10-16" @default.
• W1991362415 title "Efficient parabolic evaluation of coupling terms in hybrid quantum/classical simulations" @default.
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• W1991362415 doi "https://doi.org/10.1016/j.chemphys.2008.12.024" @default.
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