ATTO-CM research network

The ATTO-CM research network

The ATTO-CM - shorthand for attosecond charge migration - is a DOE-funded collaboration network between Louisiana State University (LSU) Physics and Chemistry departments, the Ohio State University (OSU) and University of Virginia (UVA). It is and integrated relationship between theory (LSU) and experiments (OSU and UVA) to study charge migration with high-harmonic generation and ionization spectroscopies. Charge migration is the coherent, correlation-driven, displacement of electrons in a molecule following a localized excitation or ionization. High-harmonic generation is the nonlinear up-conversion process where a coherent broadband electromagnetic radiation is emitted as a result of strong-field-matter interactions.

Related publications:

K.A. Hamer, F. Mauger, K. Lopata, K.J. Schafer, M.B. Gaarde, "Strong-field ionization with few-cycle, midinfrared laser pulses inducing a localized ionization followed by long-lasting charge migration in halogenated organic molecules," Physical Review A 111, L011101 (2025) -- DOI: 10.1103/PhysRevA.111.L011101
I.S. Wahyutama, D.D. Jayasinghe, F. Mauger, K. Lopata, and K.J. Schafer, "All-electron molecular tunnel ionization based on the weak-field asymptotic theory in the integral representation," Physical Review A 111, 013117 (2025) -- DOI: 10.1103/PhysRevA.111.013117
F. Mauger and C. Chandre, "QMol-grid : A MATLAB package for quantum-mechanical simulations in atomic and molecular systems," SoftwareX 28, 101968 (2024) -- DOI: 10.1016/j.softx.2024.101968
K.A. Hamer, A.S. Folorunso, K. Lopata, K.J. Schafer, M.B. Gaarde, and F. Mauger, "Tracking Charge Migration with Frequency-Matched Strobo-Spectroscopy," Journal of Physical Chemistry A 128, 20 (2024) -- DOI:10.1021/acs.jpca.3c04234
F. Mauger, C. Chandre, M.B. Gaarde, K. Lopata, and K.J. Schafer, "Hamiltonian formulation and symplectic split-operator schemes for time-dependent density-functional-theory equations of electron dynamics in molecules," Communications in Nonlinear Science and Numerical Simulation 129, 107685 (2024)
A.S. Folorunso, F. Mauger, K.A. Hamer, D.D. Jayasinghe, I.S. Wahyutama, J.R. Ragains, R.R. Jones, L.F. DiMauro, M.B. Gaarde, K.J. Schafer, and K. Lopata, "Attochemistry Regulation of Charge Migration," Journal of Physical Chemistry A 127, 1894 (2023)
I.S. Wahyutama, D.D. Jayasinghe, F. Mauger, K. Lopata, M.B. Gaarde, and K.J. Schafer, "All-electron, density-functional-based method for angle-resolved tunneling ionization in the adiabatic regime," Physical Review A 106, 052211 (2022)
D.R. Tuthill, T.D. Scarborough, T.T. Gorman, K.A. Hamer, R.R. Jones, M.B. Gaarde, K. Lopata, F. Mauger, K.J. Schafer, and L.F. DiMauro, "Investigation of Interferences in Carbon Dioxide through Multidimensional Molecular-Frame High-Harmonic Spectroscopy," The Journal of Physical Chemistry A 126, 8588 (2022)
K.A. Hamer, F. Mauger, A.S. Folorunso, K. Lopata, R.R. Jones, L.F. DiMauro, K.J. Schafer, and M.B. Gaarde, "Characterizing particle-like charge-migration dynamics with high-order harmonic sideband spectroscopy," Physical Review A 106, 013103 (2022)
F. Mauger, A.S. Folorunso, K.A. Hamer, C. Chandre, M.B. Gaarde, K. Lopata, and K.J. Schafer, "Charge migration and attosecond solitons in conjugated organic molecules," Physical Review Research 4, 013073 (2022).
K.A. Hamer, D.R. Tuthill, T.D. Scarborough, L.F. DiMauro, K. Lopata, K.J. Schafer, M.B. Gaarde, and F. Mauger, "Orbital-resolved calculations of two-center interferences in linear triatomic molecules," Physical Review A 104, 033114 (2021)
D.R. Tuthill, F. Mauger, T.D. Scarborough, R.R. Jones, M.B. Gaarde, K. Lopata, K.J. Schafer, and L.F. DiMauro , "Multidimensional molecular high-harmonic spectroscopy: a road map for charge migration studies ," Journal of Molecular Spectroscopy 372, 111353 (2020).
P Sándor, A. Sissay, F. Mauger, M.W. Gordon, T.T. Gorman, T.D. Scarborough, M.B. Gaarde, K. Lopata, K.J. Schafer, and R.R. Jones, "Angle-dependent strong-field ionization of halomethanes," The Journal of Chemical Physics 151, 194308 (2019).
F. Mauger, P.M. Abanador, T.D. Scarborough, T.T. Gorman, P. Agostini, L.F. DiMauro, K. Lopata, K.J. Schafer, and M.B. Gaarde, "High-harmonic spectroscopy of transient two-center interference calculated with time-dependent density-functional theory," Structural Dynamics 6, 044101 (2019).
T.T. Gorman, T.D. Scarborough, P.M. Abanador, F. Mauger, D. Kiesewetter, P. Sándor, S. Khatri, K. Lopata, K.J. Schafer, P. Agostini, M.B. Gaarde, and L.F. DiMauro , "Probing the interplay between geometric and electronic-structure features via high-harmonic spectroscopy," The Journal of Chemical Physics 150, 184308 (2019).
P. Sándor, A. Sissay, F. Mauger, P.M. Abanador, T.T. Gorman, T.D. Scarborough, M.B. Gaarde, K. Lopata, K.J. Schafer, and R.R. Jones, "Angle dependence of strong-field single and double ionization of carbonyl sulfide," Physical Review A 98, 043425 (2018).
T.D. Scarborough, T.T. Gorman, F. Mauger, P. Sándor, S. Khatri, M.B. Gaarde, K.J. Schafer, P. Agostini, and L.F. DiMauro, "Full Characterization of a Molecular Cooper Minimum Using High-Harmonic Spectroscopy," Applied Sciences 8, 1129 (2018).

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