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Exact density functionals for the exchange and correlation energies are approximated in practical calculations for the ground-state electronic structure of a many-electron system. An important exact constraint for the construction of…

Very recently, we introduced a set of correlation consistent effective core potentials (ccECPs) constructed within full many-body approaches. By employing significantly more accurate correlated approaches we were able to reach a new level…

Materials Science · Physics 2020-02-25 Abdulgani Annaberdiyev , Cody A. Melton , M. Chandler Bennett , Guangming Wang , Lubos Mitas

For photoionized plasmas, electron energy-loss rates due to radiative recombination (RR) are required for thermal equilib- rium calculations, which assume a local balance between the energy gain and loss. While many calculations of total…

High Energy Astrophysical Phenomena · Physics 2017-02-22 Junjie Mao , Jelle Kaastra , N. R. Badnell

The correlation energy per electron in the high-density uniform electron gas can be written as $\Ec(r_s,\zeta) = \lam_0(\zeta) \ln r_s + \eps_0(\zeta) + \lam_1(\zeta) \,r_s \ln r_s + O(r_s)$, where $r_s$ is the Seitz radius and $\zeta$ is…

Strongly Correlated Electrons · Physics 2011-08-08 Pierre-François Loos , Peter M. W. Gill

Core-polarization interactions are investigated in low-energy electron elastic scattering from the atoms In,Sn,Eu,Au and At through the calculation of their electron affinities. The complex angular momentum method wherein is embedded the…

Atomic Physics · Physics 2015-10-07 Z. Felfli , A. Z. Msezane

We present a practical and accurate density functional for the exchange-correlation energy of electrons in two dimensions. The exchange part is based on a recent two-dimensional generalized-gradient approximation derived by considering the…

Strongly Correlated Electrons · Physics 2010-06-30 E. Rasanen , S. Pittalis , J. G. Vilhena , M. A. L. Marques

Motivated by the interrelationships found between the various symmetry energy elements of the energy density functionals (EDF) based on the Skyrme forces, possible correlations among them are explored. A total of 237 Skyrme EDFs are used…

Nuclear Theory · Physics 2018-10-10 C. Mondal , B. K. Agrawal , J. N. De , S. K. Samaddar

In principle, many-electron correlation energy can be precisely computed from a reduced Wigner distribution function ($\mathcal{W}$) thanks to a universal functional transformation ($\mathcal{F}$), whose formal existence is akin to that of…

Chemical Physics · Physics 2019-01-23 Rutvij Vihang Bhavsar , Raghunathan Ramakrishnan

A study of the charged-particle density (number density) in the transverse region of the di-hadron correlations exploiting the existing pp and p$\bar{\rm p}$ data from RHIC to LHC energies is reported. This region has contributions from the…

High Energy Physics - Phenomenology · Physics 2021-10-25 Antonio Ortiz

We calculate the single-particle states of a two-dimensional electron gas (2DEG) in a perpendicular quantizing magnetic field, which is periodic in one direction of the electron layer. We discuss the modulation of the electron density in…

Mesoscale and Nanoscale Physics · Physics 2009-10-30 Ulrich J. Gossmann , Andrei Manolescu , Rolf R. Gerhardts

A new formula that relates the electron density at the nucleus of atoms,rho(0,Z), and the atomic number,Z, is proposed. This formula,rho(0,Z)=a(Z-bZ^(0.5))^3, contains two unknown parameters (a,b) that are derived using a least square…

Chemical Physics · Physics 2015-10-27 Alireza Marefat Khah , Shant Shahbazian

We derive a local approximation for the correlation energy in two-dimensional electronic systems. In the derivation we follow the scheme originally developed by Colle and Salvetti for three dimensions, and consider a Gaussian approximation…

Strongly Correlated Electrons · Physics 2008-11-21 S. Pittalis , E. Rasanen , M. Marques

We present an efficient \textit{ab initio} method for calculating the electronic structure and total energy of strongly correlated electron systems. The method extends the traditional Gutzwiller approximation for one-particle operators to…

Strongly Correlated Electrons · Physics 2014-07-01 Y. X. Yao , J. Liu , C. Liu , W. C. Lu , C. Z. Wang , K. M. Ho

Electron-electron correlation forms the basis of difficulties encountered in many-body problems. Accurate treatment of the correlation problem is likely to unravel some nice physical properties of matter embedded in this correlation. In an…

Quantum Physics · Physics 2022-03-24 Eric Ouma Jobunga

The ratio of the alpha-decay widths of a bare nucleus and the related atom is calculated. Both the change of the form and thus the penetrability of the potential barrier and the effect of reflection in the classically-allowed region…

Nuclear Theory · Physics 2012-12-04 Sergey Yu. Igashov , Yury M. Tchuvil'sky

Correlation effects of an electron gas in an external potential are derived using an Effective Action functional method. Corrections beyond the random phase approximation (RPA) are naturally incorporated by this method. The Effective Action…

Materials Science · Physics 2009-11-10 A. Rebei , W. N. G. Hitchon

We investigate energy correlators in semi-inclusive electron-positron annihilation as precision probes of parton hadronization dynamics. Using soft-collinear effective theory, we analyze the correlation patterns between the examined hadron…

High Energy Physics - Phenomenology · Physics 2026-01-21 Yu Jiao Zhu

High-precision calculations of the energy levels of the superheavy element Z=120 are presented. The relativistic Hartree-Fock and configuration interaction techniques are employed. The correlations between core and valence electrons are…

Atomic Physics · Physics 2022-01-07 T. H. Dinh , V. A. Dzuba , V. V. Flambaum , J. S. M. Ginges

The Coulomb exchange and correlation energy density functionals for electron systems are applied to nuclear systems. It is found that the exchange functionals in the generalized gradient approximation provide agreements with the exact-Fock…

Nuclear Theory · Physics 2019-12-09 Tomoya Naito , Ryosuke Akashi , Gianluca Colò , Haozhao Liang , Xavier Roca-Maza

We study a particular class of relativistic nuclear energy density functionals in which only nucleon degrees of freedom are explicitly used in the construction of effective interaction terms. Short-distance (high-momentum) correlations, as…

Nuclear Theory · Physics 2008-11-26 T. Niksic , D. Vretenar , P. Ring