Theory

State of the Art: NA-QMD-H

• M. Fischer, J. Handt and R. Schmidt, Nonadiabatic quantum molecular dynamics with hopping. I. General formalism and case study, Phys. Rev. A 90, 012525 (2014) [e-print].
• M. Fischer, J. Handt and R. Schmidt, Nonadiabatic quantum molecular dynamics with hopping. II. Role of nuclear quantum effects in atomic collisions, Phys. Rev. A 90, 012526 (2014) [e-print].
• M. Fischer, J. Handt and R. Schmidt, Nonadiabatic quantum molecular dynamics with hopping. III. Photoinduced excitation and relaxation of organic molecules, Phys. Rev. A 90, 012527 (2014) [e-print].

Formalism: NA-QMD

• M. Uhlmann, T. Kunert and R. Schmidt, Non-adiabatic quantum molecular dynamics: ionization of many-electron systems, J. Phys. B 39, 2989 (2006).
• M. Uhlmann, T. Kunert and R. Schmidt, Error of finite basis expansions in time-dependent calculations of atom-laser interaction, Phys. Rev. E 72, 036704 (2005).
• T. Kunert and R. Schmidt, Non-adiabatic quantum molecular dynamics: General formalism and case study  H₂⁺ in strong laser fields, Eur. Phys. J. D 25, 15 (2003).
• U. Saalmann and R. Schmidt, Non-adiabatic Quantum Molecular Dynamics, Basic Formalism and Case Study, Z. Phys. D 38, 153 (1996).
   

Formalism: Floquet Surface Hopping (FSH)

• T. Fiedlschuster, J. Handt and R. Schmidt, Floquet surface hopping: Laser-driven dissociation and ionization dynamics of H₂⁺, Phys. Rev. A 93, 053409 (2016).
• T. Fiedlschuster, J. Handt,  E.K.U. Gross and R. Schmidt, Surface hopping in laser-driven molecular dynamics, Phys. Rev. A 95, 063424 (2017).