相关论文: Atomic physics: computer calculations and theoreti…
We study the hydrogen atom confined to a spherical box with impenetrable walls but, unlike earlier pedagogical articles on the subject, we assume that the nucleus also moves. We obtain the ground-state energy approximately by means of…
Alkali metal ion batteries, and in particular Li-ion batteries, have become a key technology for current and future energy storage, already nowadays powering many devices of our daily lives. Due to the inherent complexity of batteries and…
The multiple-ionization energy difference of 163Ho and 163Dy atoms is evaluated for the ionization degree q = 30, 48, 56. The calculations are performed by means of the large-scale relativistic configuration interaction method combined with…
Calculating the molecular ground-state energy is a central challenge in computational chemistry. Conventional methods such as the Complete Active Space Configuration Interaction scale exponentially with molecular size, limiting their…
We show that the {\it ab initio} calculations of nuclear thermodynamics can be performed efficiently using lattice effective field theory. The simulations use a new approach called the pinhole trace algorithm to calculate thermodynamic…
The latest research of the proportionality of atomic weights of chemical elements made it possible to obtain 3 x 3 matrices for the calculation of information coefficients of proportionality Ip that can be used for 3D modeling of the…
This paper is a survey dedicated to the analogy between the notions of {\it complexity} in theoretical computer science and {\it energy} in physics. This analogy is not metaphorical: I describe three precise mathematical contexts, suggested…
We address the question of how a quantum computer can be used to simulate experiments on quantum systems in thermal equilibrium. We present two approaches for the preparation of the equilibrium state on a quantum computer. For both…
We critically examine the current status of theoretical calculations of the energies, the fine structure, and the isotope shift of the lowest-lying states of helium, searching for unresolved discrepancies with experiments. Calculations are…
It is proposed to use the isomer ionic ground state $^{229m}$Th$^{4+}$ embedded in transparent crystals for precision determination of unknown neutrino parameters. Isolation from solid environment of the proposed nuclear process, along with…
A photoelectron, emitted due to the absorption of light quanta as described by the photoelectric effect, is often characterized experimentally by a classical quantity, its momentum. However, since the photoelectron is a quantum object, its…
Accurately computing the free energies of biological processes is a cornerstone of computer-aided drug design but it is a daunting task. The need to sample vast conformational spaces and account for entropic contributions makes the…
An approach to electron correlation effects in atoms that uses quantum trajectories is presented. A comparison with the exact quantum mechanical results for 1D Helium atom shows that the major features of the correlated ground state…
Topics in the description of the properties of charmonium states are reviewed with an emphasis on specific theoretical ideas and methods of relating those properties to the underlying theory of Quantum Chromodynamics.
These lectures given to graduate students in theoretical particle physics, provide an introduction to the ``inner workings'' of computer algebra systems. Computer algebra has become an indispensable tool for precision calculations in…
The emission of the hard photon by the initial state is considered. The nucleon polarization and the differential cross sections for some experimental conditions have been calculated. The case of the emission of the collinear (with respect…
We discuss several ways of illustrating fundamental concepts in statistical and thermal physics by considering various models and algorithms. We emphasize the importance of replacing students' incomplete mental images by models that are…
The ground state energy of a system of electrons and nuclei is proven to be a variational functional of the conditional electronic density $n_R(\mathbf{r})$, the nuclear wavefunction $\chi(R)$ and an induced vector potential $A_{\mu}(R)$…
In this work we present a new method of approximating the continuum wavefunctions with a discrete basis set. This method aims to be at least compatible with other well known methods of the electronic structure theory to describe processes…
The classical approximation may be applied to a number of problems in non-equilibrium field theory. The principles and limits of classical real-time lattice simulations are presented, with particular emphasis on the definition of particle…