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Electron transfer with changing occupation in the 4f subshell poses a considerable challenge for quantitative predictions in quantum chemistry. Using the example of cerium oxide, we identify the main deficiencies of common…

Chemical Physics · Physics 2021-12-07 Tobias Schäfer , Nathan Daelman , Núria López

Multiply charged actinide molecules provide a unique platform to study fundamental physics and the chemical bond under extreme conditions. Beyond the inherently large relativistic effects associated with a high proton number $Z$, an…

The behavior of atomic H in a semi-bounded space $z \geq 0$ with the condition of "not going through" the boundary (the surface $z=0$) for the electronic wavefunction (WF) is considered. It is shown that in a wide range of "not going…

Atomic Physics · Physics 2019-01-29 S. Artyukova , K. Sveshnikov , A. Tolokonnikov

Making use of the energetics and equations of state of defective uranium dioxide that calculated with first-principles method, we demonstrate a possibility of constraining the formation energy of point defects by measuring the transition…

Materials Science · Physics 2013-05-30 Hua Y. Geng , Hong X. Song , Q. Wu

A transport theory is developed on the quark level to describe nucleon--nucleon collisions. We treat the strong interaction effectively by the Friedberg-Lee model both in its original and in its modified confining version. First we study…

Nuclear Theory · Physics 2009-10-28 T. Vetter T. S. Biro U. Mosel

The charge flow from a single C60 molecule to another one has been probed. The conformation and electronic states of both molecules on the contacting electrodes have been characterized using a cryogenic scanning tunneling microscope. While…

Mesoscale and Nanoscale Physics · Physics 2009-11-11 Guillaume Schull , Thomas Frederiksen , Mads Brandbyge , Richard Berndt

In two dimensional electron systems with Coulomb or dipolar interactions, a direct transition, whether first or second order, from a liquid to a crystalline state is forbidden. As a result, between these phases there must be other…

Mesoscale and Nanoscale Physics · Physics 2009-11-11 B. Spivak , S. Kivelson

We present a study on the transport and materials properties of aluminum spanning from ambient to warm dense matter conditions using a machine-learned interatomic potential (ML-IAP). Prior research has utilized ML-IAPs to simulate phenomena…

In this article the history and the current state of research of the chemiionization processes in atom-Rydberg atom collisions is presented. The principal assumptions of the model of such processes based on the dipole resonance mechanism,…

Chemical Physics · Physics 2012-06-25 A. A. Mihajlov , V. A. Sreckovic , Lj. M. Ignjatovic , A. N. Klyucharev

A double-folding method is used to calculate the nuclear and Coulomb interaction between two deformed nuclei with arbitrary orientations. A simplified Skryme-type interaction is adopted. The contributions of nuclear interaction and Coulomb…

Nuclear Theory · Physics 2009-11-11 Qingfeng Li , Wei Zuo , Wenfei Li , Nan Wang , Enguang Zhao , Junqing Li , W. Scheid

Over the last few years, $ab~initio$ methods have become an increasingly popular tool to evaluate intrinsic carrier transport properties in 2D materials. The lack of experimental information, and the progress made in the development of DFT…

Materials Science · Physics 2019-12-10 Gautam Gaddemane , Sanjay Gopalan , Maarten Van de Put , Massimo V Fischetti

As a generic model for transport of interacting fermions through a barrier or interstitials in a lattice, quantum Brownian motion in a periodic potential is studied. There is a duality transformation between the continuous coordinate or…

Condensed Matter · Physics 2007-05-23 M. Sassetti , H. Schomerus , U. Weiss

We use laser-cooled ion Coulomb crystals in the well-controlled environment of a harmonic radiofrequency ion trap to investigate phase transitions and defect formation. Topological defects in ion Coulomb crystals (kinks) have been recently…

Adsorbed transition metal atoms can have partially filled $d$- or $f$-shells due to strong on-site Coulomb interaction. Capturing all effects originating from electron correlation in such strongly correlated systems is a challenge for…

Strongly Correlated Electrons · Physics 2018-01-17 Marc Philipp Bahlke , Michael Karolak , Carmen Herrmann

A new method for calculating the critical point parameters (density, temperature, pressure and electrical conductivity) and binodal of vapor-liquid (dielectric-metal) phase transition is proposed. It is based on the assumption that…

Plasma Physics · Physics 2017-08-21 Alexander L. Khomkin , Aleksey S. Shumikhin

Lithium-ion transport is significantly retarded in ionic liquids (ILs). In this work, we performed extensive molecular dynamics (MD) simulations to mimic the kinetics of lithium ions in ILs using [\emph{N}-methyl-\emph{N}-propylpyrrolidium…

Computational Physics · Physics 2023-09-19 YeongKyu Lee , JunBeom Cho , Junseong Kim , Won Bo Lee , YongSeok Jho

We propose a new quantum mechanical method to evaluate complete and incomplete fusion in collisions of weakly bound nuclei. The method is applied to the $^{7}{\rm Li}+^{209}{\rm Bi}$ system and the results are compared to experimental data.…

Nuclear Theory · Physics 2019-10-18 J. Rangel , M. R. Cortes , J. Lubian , L. F. Canto

We have measured conductance histograms of atomic point contacts made from the noble-transition metal alloys CuNi, AgPd, and AuPt for a concentration ratio of 1:1. For all alloys these histograms at low bias voltage (below 300 mV) resemble…

Mesoscale and Nanoscale Physics · Physics 2009-11-07 Jan W. T. Heemskerk , Yves Noat , David J. Bakker , Jan M. van Ruitenbeek , Barend J. Thijsse , Peter Klaver

Electronic transport properties for single-molecule junctions have been widely measured by several techniques, including mechanically controllable break junctions, electromigration break junctions or by means of scanning tunneling…

Mesoscale and Nanoscale Physics · Physics 2020-07-22 Ferdinand Evers , Richard Korytár , Sumit Tewari , Jan M. van Ruitenbeek

We give a general thermodynamic analyzis of the behaviour of the chemical potential of electrons in metals at a second order phase transition, including in our analysis the effect of long range Coulomb forces. It is shown, that this…

Condensed Matter · Physics 2009-10-22 D. van der Marel , D. I. Khomskii , G. M. Eliashberg