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This report presents a new approach for treating the coupling of electrons and nuclei in quantum mechanical calculations for molecules and condensed matter. It includes the standard "Born-Oppenheimer approximation" as a special case but…
Any interface boundary in an equilibrium system of Coulomb particles is accompanied by the existence of a finite difference in the average electrostatic potential through this boundary. This interface potential drop is a thermodynamic…
We develop a general method allowing one to construct the consistent theory of light pulse propagation through an atomic medium in arbitrary nonlinear regime with respect to the field strength, taking into account the light polarization,…
An analytic theory for the spectral function for electrons coupled with phonons is formulated in the adiabatic limit. In the case when the chemical potential is large and negative $\mu \to -\infty$ the ground state does not have the…
The application of adiabatic protocols in quantum technologies is severely limited by environmental sources of noise and decoherence. Shortcuts to adiabaticity by counterdiabatic driving constitute a powerful alternative that speed up…
The adiabatic approximation in open systems is formulated through the effective Hamiltonian approach. By introducing an ancilla, we embed the open system dynamics into a non-Hermitian quantum dynamics of a composite system, the adiabatic…
Recently, it has been shown (Gavrilov et al., Nonlinear Dyn, 112, 2024) that in a linear solid discrete-continuous system with several slowly time-varying parameters, the amplitude of a strongly localized mode (a trapped wave) can be…
In this study, we conduct 2D3V Particle-In-Cell simulations of hollow cathodes, encompassing both the channel and plume region, with an emphasis on plasma switch applications. The plasma in the hollow cathode channel can exhibit kinetic…
The adiabatic theorem states that when the time evolution of the Hamiltonian is "infinitely slow", a system, when started in the ground state, remains in the instantaneous ground state at all times. This, however, does not mean that the…
Quantum algorithms are prominent in the pursuit of achieving quantum advantage in various computational tasks. However, addressing challenges, such as limited qubit coherence and high error rate in near-term devices, requires extensive…
A Waveguide Port Boundary Condition (WPBC) based on the restriction of the approximation space is presented in the context of Finite Element Analysis. As well as reducing the computational domain in the same manner as the traditional WPBC,…
Dielectric is considered in the electric field that has equal to zero the first moment and different from zero the second moment of strength in an equilibrium. The equations of ideal hydrodynamics are obtained in such a field for the case…
We present a possible definition of a mobility gap for a many-body quantum system, in analogy to definitions of dynamical localization for single particle systems. Using this definition, we construct "corrected" quasi-adiabatic continuation…
The three-dimensional equations for the compressible flow of liquid crystals are considered. An initial-boundary value problem is studied in a bounded domain with large data. The existence and large-time behavior of a global weak solution…
We propose a novel extension of the standard coupled-channels framework for heavy-ion reactions in order to analyze fusion reactions at deep subbarrier incident energies. This extension simulates a smooth transition between the diabatic…
Two non-directly interacting qubits with equal frequencies can become entangled via a Markovian, dissipative dynamics through the action of a weakly coupled Ohmic heat bath. In the standard weak-coupling limit derivation, this purely…
A diabatic (configuration-fixed) constrained approach to calculate the potential energy surface (PES) of the nucleus is developed in the relativistic mean field model. {As an example}, the potential energy surfaces of $^{208}$Pb obtained…
Non-adiabatic molecular phenomena, arising from the breakdown of the Born-Oppenheimer approximation, govern the fate of virtually all photo-physical and photochemical processes and limit the quantum efficiency of molecules and other…
Static electric response properties of atoms and molecules are reported within the real-space Cartesian grid implementation of pseudopotential Kohn-Sham (KS) density functional theory (DFT). A detailed systematic investigation is made for a…
Adiabatic quantum computing is a universal model for quantum computing whose implementation using a gate-based quantum computer requires depths that are unreachable in the early fault-tolerant era. To mitigate the limitations of near-term…