Evolution of a Non-Hermitian Quantum Single-Molecule Junction at Constant Temperature

This work concerns the theoretical description of quantum dynamics molecular junctions with thermal fluctuations and probability losses. To this end, we propose a theory for describing non-Hermitian systems embedded in constant-temperature environments. Along lines discussed [A. Sergi et al., Symmetry 10 518 (2018)], adopt operator-valued Wigner formulation mechanics (wherein density matrix depends on points phase space associated to system) derive non-linear equation motion. Moreover, introduce model single-molecule junction (nHQSMJ). In leads are mapped tunneling two-level system, which is turn coupled harmonic mode (i.e., molecule). A decay operator acting system describes phenomenologically Finally, temperature molecule controlled by means Nosé-Hoover chain thermostat. numerical study toy at different temperatures reported. We find that combined action losses assists transport through junction. The possibility formalism here presented can be extended treat both more states (∼10) many classical modes or atomic particles (∼103−105) highlighted.