Journal ArticleDOI
A general formula of two-dimensional Franck-Condon integral and the photoelectron spectroscopy of sulfur dioxide
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TLDR
In this article, a general formula of Franck-Condon integral for two-dimensional harmonic oscillators was derived taking into account the Duschinsky effect and applied to study the photoelectron spectroscopy of SO2 and SO 2 -.About:
This article is published in Journal of Molecular Spectroscopy.The article was published on 2009-08-01. It has received 30 citations till now. The article focuses on the topics: Photoemission spectroscopy & Ionization energy.read more
Citations
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Journal ArticleDOI
Vibronic Boson Sampling: Generalized Gaussian Boson Sampling for Molecular Vibronic Spectra at Finite Temperature
Joonsuk Huh,Man-Hong Yung +1 more
TL;DR: In this paper, it was shown that every instance of Gaussian Boson Sampling with an initial correlation can be simulated by an instance without initial correlation, with only a polynomial overhead, since every Gaussian state is associated with a thermal state.
Journal ArticleDOI
Quantum optical emulation of molecular vibronic spectroscopy using a trapped-ion device
TL;DR: This work presents the first quantum device that generates a molecular spectroscopic signal with the phonons in a trapped ion system, using SO2 as an example.
Journal ArticleDOI
Quantum Algorithm for Calculating Molecular Vibronic Spectra
Nicolas P. D. Sawaya,Joonsuk Huh +1 more
TL;DR: In this article, a quantum algorithm for calculating the vibronic spectrum of a molecule is presented, where vibrational anharmonicity is naturally included, and after measurement, some state information is preserved for further analysis.
Journal ArticleDOI
Vibronic Boson Sampling: Generalized Gaussian Boson Sampling for Molecular Vibronic Spectra at Finite Temperature
Joonsuk Huh,Man-Hong Yung +1 more
TL;DR: It is shown that every instance of Gaussian Boson Sampling with an initial correlation can be simulated by an instance ofGaussian Bos on Sampling without initial correlation, with only a polynomial overhead.
Journal ArticleDOI
An analytical approach for computing Franck‐Condon integrals of harmonic oscillators with arbitrary dimensions
TL;DR: An analytical approach for computing Franck‐Condon integrals (FCIs) of harmonic oscillators (HOs) with arbitrary dimensions in which the mode‐mixing Duschinsky effect is taken into account is developed.
References
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Gaussian 03, Revision E.01.
Michael J. Frisch,G. Trucks,H. B. Schlegel,G. Scuseria,M. Robb,J. Cheeseman,V. Zakrzewski,John H. Montgomery,R. Stratmann,J. Burant,T. Vreven,K.N. Kudin +11 more
Journal ArticleDOI
Benchmark calculations with correlated molecular wave functions. IV. The classical barrier height of the H+H2→H2+H reaction
TL;DR: In this paper, the authors used correlation consistent Gaussian basis sets from double to sextuple zeta quality to estimate the barrier height of the H+H2 exchange reaction.
Book
CRC Concise Encyclopedia of Mathematics
TL;DR: The authors organized terms related to mathematics, physics, biochemistry, chemistry, biophysics and engineering organized alphabetically, including definition, formula, illustration, and bibliographic information.
Journal ArticleDOI
Franck—Condon Factors for Polyatomic Molecules
T. E. Sharp,H. M. Rosenstock +1 more
TL;DR: In this article, general expressions for most transitions of polyatomic molecules (including transitions between linear and bent configurations) in the harmonic oscillator approximation are derived for the transition between linear, symmetric, triatomic initial and final states.
Journal ArticleDOI
Dynamical symmetry of vibronic transitions in polyatomic molecules and the Franck-Condon principle
TL;DR: In this paper, the Franck-Condon factor for two-dimensional harmonic oscillator wave functions is expressed in terms of the Hermite polynomials of several variables.