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A full selfconsistent set of equations is deduced to describe the kinetics and dynamics of charged quasiparticles (electrons, holes etc.) with arbitrary dispersion law in crystalline solids subjected to time-varying deformations. The set…
In the present work, a new time-dependent exchange theory is presented wherein the symmetry constraints, on a multi-electron wavefunction, are properly accounted for. In so doing, the equations of motion, incorporating the required…
We introduce a simple generalization of the well known geminal wavefunction already applied in Quantum Chemistry to atoms and small molecules. The main feature of the proposed wavefunction is the presence of the antisymmetric geminal part…
Theoretical descriptions of non equilibrium dynamics of quantum many-body systems essentially employ either (i) explicit treatments, relying on truncation of the expansion of the many-body wave function, (ii) compressed representations of…
We present a unified many-body perturbation theory for open quantum systems, that treats dissipation, correlations, and external driving on equal footing. Using a Keldysh-Lindblad formalism, we introduce diagrammatic treatment of…
It was recently pointed out (and demonstrated experimentally) by Lundeen et al. that the wave function of a particle (more precisely, the wave function possessed by each member of an ensemble of identically-prepared particles) can be…
In this paper, we establish a relation between two seemingly unrelated concepts for solving first-order hyperbolic quasilinear systems of partial differential equations in many dimensions. These concepts are based on a variant of the…
For quantum systems with competing potentials, the conventional perturbation theory often yields an asymptotic series and the subsequent numerical outcome becomes uncertain. To tackle such kind of problems, we develop a general solution…
While there have been many developments in computational probes of both strongly-correlated molecular systems and machine-learning accelerated molecular dynamics, there remains a significant gap in capabilities in simulating accurate…
The aim of the present contribution is to provide a framework for analyzing and visualizing the correlated many-electron dynamics of molecular systems, where an explicitly time-dependent electronic wave packet is represented as a linear…
Hybrid ion-atom systems provide an excellent platform for studies of state-resolved quantum chemistry at low temperatures, where quantum effects may be prevalent. Here we study theoretically the process of vibrational relaxation of an…
We introduce a functional perturbative method for treating weakly nonlinear systems coupled with a quantum field bath. We demonstrate using this method to obtain the covariance matrix elements and the correlation functions of a quantum…
A summary is presented of the properties of the coefficient matrices formed by expanding the two-body reduced density matrix in a complete set of two-electron wave functions. Calculating the relationship between the many electron wave…
Bohmian mechanics provides an explanation of quantum phenomena in terms of point particles guided by wave functions. This review focuses on the formalism of non-relativistic Bohmian mechanics, rather than its interpretation. Although the…
Descriptions of molecular systems usually refer to two distinct theoretical frameworks. On the one hand the quantum pure state, i.e. the wavefunction, of an isolated system which is determined to calculate molecular properties and to…
Relying on the quantization rule of Raab and Friedrich [Phys. Rev. A (2009) in press], we derive simple and accurate formulae for the number of rotational states supported by a weakly bound vibrational level of a diatomic molecular ion. We…
We develop a general approach for calculating the characteristic function of the work distribution of quantum many-body systems in a time-varying potential, whose many-body wave function can be cast in the Slater determinant form. Our…
The decoherence of a two-state system coupled with a sub-Ohmic bath is investigated theoretically by means of the perturbation approach based on a unitary transformation. It is shown that the decoherence depends strongly and sensitively on…
We introduce a formalism of nonlinear canonical transformations for general systems of multiphoton quantum optics. For single-mode systems the transformations depend on a tunable free parameter, the homodyne local oscillator angle; for…
In the present communication the Bayesian conditional probability approach is applied to the wave function of a many-electron system that results in appearance of a quantum vector potential in the DFT Schrodinger equation due to electron…