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A method is presented for the improved calculation of super-shell partition functions which include the repulsive electron-electron interaction energy terms in the Boltzmann factor. Heretofore these interaction terms were approximately…

原子物理 · 物理学 2025-02-04 Daniel Aberg , Brian G. Wilson , Jean-Christophe Pain

Partition functions of a canonical ensemble of non-interacting bound electrons are a key ingredient of the super-transition-array approach to the computation of radiative opacity. A few years ago, we published a robust and stable recursion…

统计力学 · 物理学 2020-10-28 Jean-Christophe Pain , Franck Gilleron , Brian G. Wilson

An explicitly orbital-dependent correlation energy functional is proposed, which is to be used in combination with the orbital-dependent exchange energy functional in energy-band calculations. It bears a close resemblance to the…

强关联电子 · 物理学 2009-11-10 Masahiko Higuchi , Hiroshi Yasuhara

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…

量子物理 · 物理学 2022-03-24 Eric Ouma Jobunga

The GEneral description of Fission observables (GEF) model was developed to produce fission related nuclear data which are of crucial importance for basic and applied nuclear physics. The investigation of the performance of the GEF code is…

核实验 · 物理学 2018-10-17 C. Schmitt , K. -H. Schmidt , B. Jurado

Employing a local formula for the electron-electron interaction energy, we derive a self-consistent approximation for the total energy of a general $N$-electron system. Our scheme works as a local variant of the Thomas-Fermi approximation…

化学物理 · 物理学 2013-10-31 E. Rasanen , A. Odriazola , I. Makkonen , A. Harju

Accurate solution of the many-electron problem including correlations remains intractable except for few-electron systems. Describing interacting electrons as a superposition of independent electron configurations results in an apparent…

计算物理 · 物理学 2024-02-20 J. C. Greer

The modern quantum theory of magnetism in solids is getting commonly derived using Green's functions formalism. The popularity draws itself from remarkable opportunities to capture the microscopic landscape of exchange interactions,…

材料科学 · 物理学 2022-11-09 I. V. Kashin , A. Gerasimov , V. V. Mazurenko

It is known that solutions of Richardson equations can be represented as stationary points of the "energy" of classical free charges on the plane. We suggest to consider "probabilities" of the system of charges to occupy certain states in…

超导电性 · 物理学 2012-02-03 W. V. Pogosov

Although symmetry methods and analysis are a necessary ingredient in every physicist's toolkit, rather less use has been made of combinatorial methods. One exception is in the realm of Statistical Physics, where the calculation of the…

量子物理 · 物理学 2007-05-23 Allan I. Solomon , Pawel Blasiak , Gerard Duchamp , Andrzej Horzela , Karol A. Penson

The interaction of charged particles, moving in a uniform magnetic field, with a plane-polarized gravitational wave is considered using the Fokker-Planck- Kolmogorov (FPK) approach. By using a stochasticity criterion, we determine the exact…

广义相对论与量子宇宙学 · 物理学 2015-06-25 A. Anastasiadis , K. Kleidis , H. Varvoglis

In approximate Kohn-Sham density-functional theory, self-interaction manifests itself as the dependence of the energy of an orbital on its fractional occupation. This unphysical behavior translates into qualitative and quantitative errors…

Experimental studies of fission induced in relativistic nuclear collisions show a systematic enhancement of the excitation energy of the primary fragments by a factor of ~ 2, before their decay by fission and other secondary fragments.…

核理论 · 物理学 2020-04-08 C. A. Bertulani , Y. Kucuk , R. Lozeva

In this work, atomic calculations were performed within the local-density and generalized-gradient approximations of exchange and correlation density functionals within density-functional theory to provide accurate periodic trends of first…

原子物理 · 物理学 2016-11-04 Mauro Ribeiro

Diagrammatic techniques are well-known in the calculation of dispersion interactions between atoms or molecules. The multipolar coupling scheme combined with Feynman ordered diagrams significantly reduces the number of graphs compared to…

量子物理 · 物理学 2012-08-07 Harald R. Haakh , Jürgen Schiefele , Carsten Henkel

An analysis of the Wigner function for identical particles is presented. Four situations have been considered. i) A scattering process between two indistinguishable electrons described by a minimum uncertainty wave packets showing the…

其他凝聚态物理 · 物理学 2007-05-23 Emiliano Cancellieri , Paolo Bordone , Carlo Jacoboni

We express the partition function for an equilibrium system of interacting particles in the canonical ensemble as a functional integration over the particles' density field. We outline a method to evaluate the partition function by…

凝聚态物理 · 物理学 2009-10-31 Tong Zhou

We consider a class of particle systems which appear in various applications such as approximation theory, plasticity, potential theory and space-filling designs. The positions of the particles on the real line are described as a global…

偏微分方程分析 · 数学 2022-10-05 Patrick van Meurs , Ken'ichiro Tanaka

In order to find the exact form of the electrostatic interaction between two proteins with dissociable charge groups in aqueous solution, we have studied a model system composed of two macroscopic surfaces with charge dissociation sites…

化学物理 · 物理学 2014-05-16 Natasa Adzic , Rudolf Podgornik

In the recent [3], Cesbron and Herda study a Vlasov-Fokker-Planck (VFP) equation with non-symmetric interaction, introduced in physics to model the distribution of electrons in a synchrotron particle accelerator. We make four remarks in…

概率论 · 数学 2023-11-13 Pierre Monmarché
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