Related papers: Towards a correct description of initial electroni…

Transitions out of the ground space limit the performance of quantum adiabatic algorithms, while hardware imperfections impose stringent limitations on the circuit depth. We propose an adiabatic echo verification protocol which mitigates…

The reliable quantification of nonclassicality in quantum states under realistic decoherence remains a central challenge in advancing quantum technologies. Conventional quantifiers such as Wigner negativity, Mandel's $Q$-parameter,…

Unitary drivings of quantum systems are ubiquitous in experiments and applications of quantum mechanics and the underlying energetic aspects, particularly relevant in quantum thermodynamics, are receiving growing attention. We investigate…

The congregation of topological quantum and classical systems with the ideas of non-Hermitian physics has generated enormous research interest in the last few years. While the concepts associated to non-trivial topological aspects have…

We present an overview of the role of quantum coherence in influencing nonadiabatic processes in the condensed phase. Equations of motion for mixed quantum-classical dynamics are derived from the Consistent Histories interpretation of…

The present work revisits the reduction of the nonlinear dynamics of an electromechanical system through a quasi-steady state hypothesis, discussing the fundamental aspects of this type of approach and clarifying some confusing points found…

Quenching a quantum system involves three basic ingredients: the initial phase, the post-quench target phase, and the non-equilibrium dynamics which carries the information of the former two. Here we propose a dynamical theory to…

We combine classical heuristics with partial shadow tomography to enable efficient protocols for extracting information from correlated ab initio electronic systems encoded on quantum devices. By proposing the use of a correlation energy…

Time-resolved photoemission spectroscopy provides a unique and direct way to explore the real-time nonequilibrium dynamics of electrons and holes. The formal theory of the spectral function evolution requires inclusion of electronic…

We present a semiclassical quantization condition, i.e., quantum-classical correspondence, for steady states of nonadiabatic systems consisting of fast and slow degrees of freedom (DOFs) by extending Gutzwiller's trace formula to a…

We design a quantum molecular dynamics method for strongly correlated electron metals. The strong electronic correlation effects are treated within a real-space version of the Gutzwiller variational approximation (GA), which is suitable for…

Choosing an appropriate representation of the molecular Hamiltonian is one of the challenges faced by simulations of the nonadiabatic quantum dynamics around a conical intersection. The adiabatic, exact quasidiabatic, and strictly diabatic…

The adiabatic approximation has formed the basis for much of our understandings of the interaction of light and electrons. The classical non-recoil approximation or quantum mechanical Wolkow states of free electron waves have been routinely…

This letter highlights the entropy exchange phenomenon in a coupled binary inter-correlating system following Haldane's non-linear statistical correlation. A unique coupling between a classical and a quantum-like system at the marginal…

A novel treatment of non-adiabatic couplings is proposed. The derivation starts from the long-known, but not well-known, fact that the wave function of the complete system of elctrons and nuclei can be written, without approximation, as a…

The main obstacles to the realization of high-fidelity quantum gates are the control errors arising from inaccurate manipulation of a quantum system and the decoherence caused by the interaction between the quantum system and its…

In this work, we describe various improved implementations of the mapping approach to surface hopping (MASH) for simulating nonadiabatic dynamics. These include time-reversible and piecewise-continuous integrators, which is only formally…

We study the convergence and the stability of fictitious dynamical methods for electrons. First, we show that a particular damped second-order dynamics has a much faster rate of convergence to the ground-state than first-order steepest…

We develop a semi-classical method to simulate the motion of atoms in a dissipative optical lattice. Our method treats the internal states of the atom quantum mechanically, including all nonadiabatic couplings, while position and momentum…

Coupled cluster theory is one of the most accurate electronic structure methods for predicting ground and excited state chemistry. However, the presence of numerical artifacts at electronic degeneracies, such as complex energies, has made…