Related papers: Effective Potential, Mori Product and Quantum Dyna…
Results of quasi-classical molecular dynamics simulations of the quantum electron gas are reported. Quantum effects corresponding to the Pauli and the Heisenberg principle are modeled by an effective momentum-dependent Hamiltonian. The…
Solvation effect might have a tremendous influence on chemical reactions. However, precise quantum chemistry calculations are most often done either in vacuum neglecting the role of the solvent or using continuum solvent model ignoring its…
The optimized effective potential (OEP) method is a promising technique for calculating the ground state properties of a system within the density functional theory. However, it is not widely used as its computational cost is rather high…
We use time-independent canonical transformation methods to discuss the energy eigenfunctions for the simple linear potential, pedagogically setting the stage for some field theory calculations to follow. We then discuss the Schr\"odinger…
A continuous infinite system of point particles interacting via two-body strong superstable potential is considered in the framework of classical statistical mechanics. We define some kind of approximation of main quantities, which describe…
Correlation function and mutual information are two powerful tools to characterize the correlations in a quantum state of a composite system, widely used in many-body physics and in quantum information science, respectively. We find that…
We develop a form factor approach to the study of dynamical correlation functions of quantum integrable models in the critical regime. As an example, we consider the quantum non-linear Schr\"odinger model. We derive long-distance/long-time…
Methods for estimating the correlation energy of molecules and other electronic systems are discussed based on the assumption that the correlation energy can be partitioned between atomic regions. In one method, the electron density is…
Finding the maximum value of a function in a dynamic model plays an important role in many application settings, including discrete optimization in the presence of hard constraints. We present an iterative quantum algorithm for finding the…
We analyze the problem of one dimensional quantum particle falling in a constant gravitational field, also known as the {\it bouncing ball}, employing a semiclassical approach known as momentous effective quantum mechanics. In this…
Understanding the role of classical and quantum correlations in work extraction is a problem of fundamental importance in thermodynamics. We approach this problem by considering that, in closed quantum systems, the maximum cyclic work…
We set up a method for a recursive calculation of the effective potential which is applied to a cubic potential with imaginary coupling. The result is resummed using variational perturbation theory (VPT), yielding an exponentially fast…
We use a density-functional theoretical approach to set up a computationally simple self-consistent scheme to calculate the pair distribution functions and the effective interactions in quantum Coulomb liquids. We demonstrate the accuracy…
We calculate current-current correlation functions and find an expression for the zero-frequency noise of multiterminal systems driven by harmonically time-dependent voltages within the Keldysh non-equilibrium Green's functions formalism.…
A method is presented to compute approximate solutions for eigenequations in quantum mechanics with an arbitrary kinetic part. In some cases, the approximate eigenvalues can be analytically determined and they can be lower or upper bounds.…
We present a detailed study of the finite temperature dynamical properties of the quantum Potts model in one dimension.Quasiparticle excitations in this model have internal quantum numbers, and their scattering matrix {\gf deep} in the…
Quantum optimal control theory is a powerful tool for engineering quantum systems subject to external fields such as the ones created by intense lasers. The formulation relies on a suitable definition for a target functional, that…
We propose a scheme for the construction of charge and spin linear-response functions of an interacting electronic system via quantum phase estimation and statistical sampling on a quantum computer. By using the unitary decomposition of…
Optimal control theory is a powerful tool for improving figures of merit in quantum information tasks. Finding the solution to any optimal control problem via numerical optimization depends crucially on the choice of the optimization…
Canonical variables for the Poisson algebra of quantum moments are introduced here, expressing semiclassical quantum mechanics as a canonical dynamical system that extends the classical phase space. New realizations for up to fourth order…