相关论文: Particle correlation from uncorrelated non Born-Op…

We describe a version of an algorithm for evolving self-gravitating collections of particles that should be nearly ideal for parallel architectures. Our method is derived from the ``self-consistent field'' (SCF) approach suggested…

The orbital basis is natural when one needs to calculate the effect of local interactions or to unravel the role of orbital physics in the response to external probes. In systems with nonsymmorphic point groups, such as the iron-based…

Ab initio calculations face the challenge of describing a complex multiscale quantum many-body system. The nuclear wave function has both strong short-range correlations and long-range contributions. Natural orbitals provide a means of…

In the present paper we examine in a systematic way the most relevant orderings of pure kinetic Hamiltonians for five different position-dependent mass (PDM) profiles: soliton-like, reciprocal quadratic and biquadratic, exponential and…

We investigate the role of non-local correlations in LiFeAs by exploring an ab-initio-derived multi-orbital Hubbard model for LiFeAs via the Two-Particle Self-Consistent (TPSC) approach. The multi-orbital formulation of TPSC approximates…

The general procedure underlying Hartree-Fock and Kohn-Sham density functional theory calculations consists in optimizing orbitals for a self-consistent solution of the Roothaan-Hall equations in an iterative process. It is often ignored…

One of the most challenging problems in solid state systems is the microscopic analysis of electronic correlations. A paramount minimal model that encodes correlation effects is the Hubbard Hamiltonian, which -- albeit its simplicity -- is…

We study the valence electron of an alkaline atom or a general charged particle with arbitrary spin and with magnetic moment moving in a rotating magnetic field. By using a time-dependent unitary transformation, the Schr\"odinger equation…

We study a simple model for a particle that is active due to self-phoresis and that has been proposed to model symmetric camphor grains. The particle generates a concentration field through the continuous emission of a chemical substance,…

A closed mathematical model of the statistical self-gravitating system of scalar charged particles for conformal invariant scalar interactions is constructed on the basis of relativistic kinetics and gravitation theory. Asymptotic…

We consider the relations between nonstationary quantum oscillators and their stationary counterpart in view of their applicability to study particles in electromagnetic traps. We develop a consistent model of quantum oscillators with…

We present a theoretical study of the impact of an electrostatic field combined with non-resonant linearly polarized laser pulses on the rotational dynamics of linear molecules. Within the rigid rotor approximation, we solve the…

We treat the ultraviolet problem for polaron-type models in nonrelativistic quantum field theory. Assuming that the dispersion relations of particles and the field have the same growth at infinity, we cover all subcritical…

We present a detailed derivation and numerical tests of a new mixed quantum-classical scheme to deal with non-adiabatic processes. The method is presented as the zero-th order approximation to the exact coupled dynamics of electrons and…

An accurate non-gradient-expansion based correction to Thomas--Fermi is developed using solvable model. The used model is a system of $N$ non-interacting electrons moving independently in the Coulomb field of the nuclear charge. The…

The short range repulsion between nucleons is treated by a unitary correlation operator which shifts the nucleons away from each other whenever their uncorrelated positions are within the replusive core. By formulating the correlation as a…

A nonrelativistic equation for the system of two interacting particles within the framework of a model with noncommuting operators of coordinates and momenta of different particles is proposed, and a self-consistent system of equations for…

In this work we develop tools that enable the study of non-adiabatic effects with variational and diffusion Monte Carlo methods. We introduce a highly accurate wave function ansatz for electron-ion systems that can involve a combination of…

We study nonequilibrium evolution in a self-interacting quantum field theory invariant under space translation only by using a canonical approach based on the recently developed Liouville-von Neumann formalism. The method is first used to…

We introduce a method for accurate quantum chemical calculations based on a simple variational wave function, defined by a single geminal that couples all the electrons into singlet pairs, combined with a real space correlation factor. The…