QuDPy: A Python-Based Tool For Computing Ultrafast Non-linear Optical Responses

Abstract

Nonlinear Optical Spectroscopy is a well-developed field with theoretical and experimental advances that have aided multiple fields including chemistry, biology and physics. However, accurate quantum dynamical simulations based on model Hamiltonians are need to interpret the corresponding multi-dimensional spectral signals properly. In this article, we present the initial release of our code, QuDPy (quantum dynamics in python) which addresses the need for a robust numerical platform for performing quantum dynamics simulations based on model systems, including open quantum systems. An important feature of our approach is that one can specify various high-order optical response pathways in the form of double-sided Feynman diagrams via a straightforward input syntax that specifies the time-ordering of ket-sided or bra-sided optical interactions acting upon the time-evolving density matrix of the system. We use the quantum dynamics capabilities of QuTip for simulating the spectral response of complex systems to compute essentially any n-th-order optical response of the model system. We provide a series of example calculations to illustrate the utility of our approach.

References in corpus (2)

• QuTiP 2: A Python framework for the dynamics of open quantum systems
• Homogeneous optical linewidths in hybrid Ruddlesden-Popper metal halides can only be measured using nonlinear spectroscopy

Cited by in corpus (2)

• Wavepacket and Reduced-Density Approaches for High-Dimensional Quantum Dynamics: Application to the Nonlinear Spectroscopy of Asymmetrical Light-Harvesting Building Blocks
• Vibrational response functions for multidimensional electronic spectroscopy: from Duschinsky rotations to multimode squeezed coherent states