Related papers: A New Microscopic Approach to the Rotational Inten…
The intraband electromagnetic transitions in the framework of collective Hamiltonian for chiral and wobbling modes are calculated. By going beyond the mean field approximation on the orientations of rotational axis, the collective…
We provide a framework for a perturbative evaluation of the reduced density matrix. The method is based on a path integral in the analytically continued spacetime. It suggests an alternative to the holographic and `standard' replica trick…
We derive an exact expression for the orbital magnetization of electrons with short-range interactions (such as density-density interactions) in terms of exact zero-frequency response functions of the zero-field system. The result applies…
One of the methods to find the natural frequencies of rotating systems is the application of the transfer matrix method. In this method the rotor is modeled as several elements along the shaft which have their own mass and moment of…
A method is presented for calculating binding energies and other properties of extended interacting systems using the projected density of transitions (PDoT) which is the probability distribution for transitions of different energies…
In this report we review the method of explicit calculations of interatomic exchange interactions of magnetic materials. This involves exchange mechanisms normally referred to as Heisenberg exchange, Dzyaloshinskii-Moriya interaction and…
A general description for relativistic magnetic reconnection is given in terms of asymmetric inflow plasma conditions, such as plasma density, velocity magnetic field strength, and their respective thermal-inertial effects. In this work, we…
Energies of (3s2 3p6 3d9 4l4l'), (3s2 3p5 3d10 4l4l'), and (3s 3p6 3d10 4l4l') states for Cu-like ions with Z = 30 -100 are evaluated to second order in relativistic many-body perturbation theory (RMBPT) starting from a Ni-like Dirac-Fock…
A scheme is presented to extract detailed dynamical signatures from successive measurements of complex systems. Relative entropy based time series tools are used to quantify the gain in predictive power of increasing past knowledge. By…
We present a novel scheme for nuclear structure calculations based on realistic nucleon-nucleon potentials. The essential ingredient is the explicit treatment of the dominant interaction-induced correlations by means of the Unitary…
Coulomb integrals, i.e., matrix elements of bare or screened Coulomb interaction between one-electron orbitals, are fundamental objects in many approaches developed to tackle the challenging problem of calculating the electronic structure…
Coulomb interactions that occur in electronic structure calculations are correlated by allowing basis function components of the interacting densities to polarize, thereby reducing the magnitude of the interaction. Exchange integrals of…
We have developed a McMurchie-Davidson-like recursion formula for efficient evaluation of the Coulomb attraction and interaction matrix elements between two-dimensional primitive Cartesian Gaussian type orbitals. We also present recurrence…
An efficient approach to calculate approximate pure-state and transition reduced density matrices in the framework of the multireference relativistic Fock-space coupled cluster (FS CC) theory is proposed. The method is based on the…
By monitoring the sampling of states with different magnetizations in transition matrix procedures a family of accurate and easily implemented techniques are constructed that automatically control the variation of the temperature or energy…
We study the dependence of the intrinsic conductance of a nanocontact on its shape by using the recursion-transfer-matrix method. Hour-glass, torus, and spherical shapes are defined through analytic potentials, the latter two serving as…
Estimating the rate of rare conformational changes in molecular systems is one of the goals of Molecular Dynamics simulations. In the past decades, a lot of progress has been done in data-based approaches towards this problem. In contrast,…
Understanding the magnetization switching process in ferromagnetic thin films is essential for many technological applications. We investigate the effects of periodic driving via magnetic fields on a macrospin system under explicit…
Microscopic biological systems operate far from equilibrium, are subject to strong fluctuations, and are composed of many coupled components with interactions varying in nature and strength. Researchers are actively investigating the…
An overview of a microscopic framework based on the Hartree-Fock description of the mean field is presented which, starting from an effective interaction allows a description of collective motions. A study of the isotope shifts in the Pb…