Theory
Table of contents
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).