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We compare accuracy of two prime time evolution algorithms involving Matrix Product States - tDMRG (time-dependent density matrix renormalization group) and TDVP (time-dependent variational principle). The latter is supposed to be superior…
In this study, we address the challenge of controlling quantum systems under environmental influences using the theory of dynamical invariants. We employ a reverse engineering approach to develop control protocols designed to be robust…
Although quantum computing holds promise for solving Combinatorial Optimization Problems (COPs), the limited qubit capacity of NISQ hardware makes large-scale instances intractable. Conventional methods attempt to bridge this gap through…
The time-dependent density functional theory (TDDFT) provides a unified description of the structure and reaction. The linear approximation leads to the random-phase approximation (RPA) which is capable of describing a variety of collective…
In this paper, we present an application of the variational quantum simulation (VQS) framework to capture finite-temperature open-system dynamics on near-term quantum hardware. By embedding the generalized amplitude-damping channel into the…
We derive equations of motion for bivariational wave functions with orthogonal adaptive basis sets and specialize the formalism to the coupled cluster ansatz. The equations are related to the biorthogonal case in a transparent way, and…
We discuss two problems which are particularly challenging for approximations in time-dependent density functional theory (TDDFT) to capture: momentum-distributions in ionization processes, and memory-dependence in real-time dynamics. We…
We formulate a finite-size particle numerical model of strongly magnetized plasmas in the drift-kinetic approximation. We use the phase space action as an alternative to previous variational formulations based on Low's Lagrangian or on a…
A first-principles approach to describe electron dynamics in open quantum systems driven far from equilibrium via external time-dependent stimuli is introduced. Within this approach, the driven Liouville von Neumann methodology is used to…
Application of the time-dependent variational principle to a linear combination of frozen-width Gaussians describing the nuclear wavefunction provides a formalism where the total energy is conserved. The computational downside of this…
A rigorous formulation of time-dependent current density functional theory (TDCDFT) on a lattice is presented. The density-to-potential mapping and the ${\cal V}$-representability problems are reduced to a solution of a certain nonlinear…
We consider a variational problem for the two-dimensional (2D) Heisenberg and XY models, using a trial state which is constructed as a 2D product of local weights. Variational energy is calculated by use of the the corner transfer matrix…
We introduce time-dependent variational principles to study the non-unitary dynamics of open quantum many-body systems, including dynamics described by the full Lindblad master equation, the non-Hermitian dynamics corresponding to the…
We show that the time-dependent Schr\"odinger equation (TDSE) is the phenomenological dynamical law of evolution unraveled in the classical limit from a timeless formulation in terms of probability amplitudes conditioned by the values of…
The formalism of density functional theory (DFT) can be easily extended to the time dependent case (TDDFT). However, while in the static case the theory is well established and is expected to be, at least in principle, an exact approach for…
We formulate equations of time-dependent density functional theory (TDDFT) in the co-moving Lagrangian reference frame. The main advantage of the Lagrangian description of many-body dynamics is that in the co-moving frame the current…
We derive a convex optimization problem on a steady-state nonequilibrium network of biochemical reactions, with the property that energy conservation and the second law of thermodynamics both hold at the problem solution. This suggests a…
We establish a generic method to analyze the time evolution of open quantum many-body systems. Our approach is based on a variational integration of the quantum master equation describing the dynamics and naturally connects to a variational…
It is shown that the density-potential mapping and the ${\cal V}$-representability problems in the time-dependent current density functional theory (TDCDFT) are reduced to the solution of a certain many-body nonlinear Schr\"odinger equation…
Onsager's variational principle (OVP) provides us with a systematic way to derive dynamical equations for various soft matter and active matter. By reformulating the Onsager-Machlup variational principle (OMVP), which is a time-global…