Analog quantum simulation of non-Condon effects in molecular
spectroscopy
- URL: http://arxiv.org/abs/2011.05553v1
- Date: Wed, 11 Nov 2020 05:27:35 GMT
- Title: Analog quantum simulation of non-Condon effects in molecular
spectroscopy
- Authors: Hamza Jnane, Nicolas P. D. Sawaya, Borja Peropadre, Alan Aspuru-Guzik,
Raul Garcia-Patron, Joonsuk Huh
- Abstract summary: We present a linear optical implementation for analog quantum simulation of molecular vibronic spectra.
We include the non-Condon scattering operation with a quadratically small truncation error.
We report in-silico simulations of the vibronic spectra for naphthalene, phenanthrene, and benzene.
- Score: 1.9573380763700712
- License: http://creativecommons.org/licenses/by/4.0/
- Abstract: In this work, we present a linear optical implementation for analog quantum
simulation of molecular vibronic spectra, incorporating the non-Condon
scattering operation with a quadratically small truncation error. Thus far,
analog and digital quantum algorithms for achieving quantum speedup have been
suggested only in the Condon regime, which refers to a transition dipole moment
that is independent of nuclear coordinates. For analog quantum optical
simulation beyond the Condon regime (i.e., non-Condon transitions) the
resulting non-unitary scattering operations must be handled appropriately in a
linear optical network. In this paper, we consider the first and second-order
Herzberg-Teller expansions of the transition dipole moment operator for the
non-Condon effect, for implementation on linear optical quantum hardware. We
believe the method opens a new way to approximate arbitrary non-unitary
operations in analog and digital quantum simulations. We report in-silico
simulations of the vibronic spectra for naphthalene, phenanthrene, and benzene
to support our findings.
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