Abstract
We present a unified fractional framework for quantum transport in dissipative chemical systems, incorporating temporal and spatial fractional operators to model memory-driven dynamics, anomalous diffusion, and long-range coherence. Starting from a generalized open-system Hamiltonian, we derive time- and space-fractional Schrödinger equations with dissipative potentials and nonlinear reactive couplings. Rigorous analysis establishes well-posedness, spectral properties, and algebraic energy decay, while linear stability and dispersion studies reveal memory-induced spectral shifts and fractional exceptional points. Numerical simulations using spectral and exponential time-differencing schemes illustrate subdiffusive spreading, anomalous decoherence, and quasi-stationary wave localization in reactive media. The framework provides a versatile mathematical and computational platform for predicting and interpreting fractional quantum transport phenomena in complex molecular and condensed-phase environments.
| Original language | English |
|---|---|
| Article number | 115759 |
| Journal | Computational and Theoretical Chemistry |
| Volume | 1260 |
| DOIs | |
| Publication status | Published - Jun 2026 |
| Externally published | Yes |
Keywords
- Anomalous diffusion
- Dissipative quantum systems
- Fractional Laplacian
- Fractional Schrödinger equation
- Memory kernels
- Non-Markovian dynamics
- Open quantum chemistry
- Spectral analysis
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