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A common approach to modeling dispersion interactions and overcoming the inaccurate description of long-range correlation effects in electronic structure calculations is the use of pairwise-additive potentials, as in the…

Materials Science · Physics 2024-07-10 Heikki Muhli , Tapio Ala-Nissila , Miguel A. Caro

In this paper, we showed that for some given suitable density and pressure, there exist infinitely many compactly supported solutions with prescribed energy profile. The proof is mainly based on the convex integration scheme. We construct…

Analysis of PDEs · Mathematics 2024-05-15 Anxiang Huang

We present a weak-relativistic limit comparison between the Kohn-Sham-Dirac equation and its approximate form containing the exchange coupling, which is used in almost all relativistic codes of density-functional theory. For these two…

Condensed Matter · Physics 2016-08-15 A. Crépieux , P. Bruno

The multiconfiguration Dirac-Hartree-Fock (MCDHF) and relativistic configuration interaction (RCI) methods are used to provide excitation energies, radiative transition data, lifetimes, Lande g-factors, hyperfine interaction constants and…

A method is described for solving relativistic quasi-potential equations in configuration space. The Blankenbecler-Sugar-Logunov-Tavkhelidze and an equal-time equation, both relativistic covariant two-body equations containing the full…

Nuclear Theory · Physics 2007-05-23 P. C. Tiemeijer , J. A. Tjon

The article deals with the extension of the relativistic double-ionization equation-of-motion coupled-cluster (DI-EOMCC) method [H. Pathak et al. Phys. Rev. A 90, 010501(R) (2014)] for the molecular systems. The Dirac-Coulomb (DC)…

Chemical Physics · Physics 2020-04-22 Himadri Pathak , Sudip Sasmal , Kaushik Talukdar , Malaya K. Nayak , Nayana Vaval , Sourav Pal

In this work, we have obtained the solutions of the (1 + 1) dimensional Dirac equation on a gravitational background within the generalized uncertainty principle. We have shown that how minimal length parameters effect the Dirac particle in…

High Energy Physics - Theory · Physics 2019-04-18 Ozlem Yesiltas

We establish the global existence of weak solutions to a nonlinear kinetic Fokker--Planck equation with degenerate diffusion, under either inflow or partial absorption-reflection boundary conditions. The novelty of our approach lies in…

Analysis of PDEs · Mathematics 2025-10-09 Young-Pil Choi , Sihyun Song

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…

Computational Physics · Physics 2024-02-20 J. C. Greer

The Two-Body Dirac equations of constraint theory are of special interest not only in view of applications for phenomenological calculations of mesonic spectra but also because they avoid no-go theorems about relativistic interactions.…

Quantum Physics · Physics 2015-07-29 Matthias Lienert

We examine the nonperturbative effect of maximum momentum on the relativistic wave equations. In momentum representation, we obtain the exact eigen-energies and wavefunctions of one-dimensional Klein-Gordon and Dirac equation with linear…

High Energy Physics - Theory · Physics 2015-06-17 Chee Leong Ching , Wei Khim Ng

We prove the existence of multi-soliton solutions for the nonlinear Schr\"{o}dinger equation with repulsive Dirac delta potential and $L^2$-supercritical focusing nonlinear term. Our main contribution is to treat the unmoving part of the…

Analysis of PDEs · Mathematics 2023-10-16 Stephen Gustafson , Takahisa Inui , Ikkei Shimizu

Electrons obeying the Dirac equation are investigated under the non-relativistic $c \mapsto \infty$ limit. General solutions are given by derivatives of the relativistic invariant functions whose forms are different in the time- and the…

General Physics · Physics 2015-02-27 Taro Kashiwa , Taisuke Yamaguchi

We analyze the Majorana equation in the limit where the particle is at rest. We show that several counterintuitive features, absent in the rest limit of the Dirac equation, do appear. Among them, Dirac-like positive energy solutions that…

Quantum Physics · Physics 2015-05-30 L. Lamata , J. Casanova , I. L. Egusquiza , E. Solano

We prove the existence of global in time, finite energy, weak solutions to a quantum magnetohydrodynamic system (QMHD) with large data, modeling a charged quantum fluid interacting with a self-generated electromagnetic field. The analysis…

Analysis of PDEs · Mathematics 2022-05-16 Paolo Antonelli , Pierangelo Marcati , Raffaele Scandone

We use Dirac's constraint dynamics to obtain a Hamiltonian formulation of the relativistic N-body problem in a separable two-body basis in which the particles interact pair-wise through scalar and vector interactions. The resultant N-body…

Nuclear Theory · Physics 2009-11-06 Cheuk-Yin Wong , Horace W. Crater

The sixteen-component, no-pair Dirac--Coulomb--Breit equation, derived from the Bethe--Salpeter equation, is solved in a variational procedure using Gaussian-type basis functions for the example of positronium, muonium, hydrogen atom, and…

Quantum Physics · Physics 2023-05-24 Dávid Ferenc , Edit Mátyus

We consider the three-dimensional Dirac equation in spherical coordinates with coupling to static electromagnetic potential. The space components of the potential have angular (non-central) dependence such that the Dirac equation is…

High Energy Physics - Theory · Physics 2008-11-26 A. D. Alhaidari

We propose to measure nonadiabaticity of molecular quantum dynamics rigorously with the quantum fidelity between the Born-Oppenheimer and fully nonadiabatic dynamics. It is shown that this measure of nonadiabaticity applies in situations…

Chemical Physics · Physics 2012-06-28 Tomas Zimmermann , Jiri Vanicek

We develop a theoretical method within the framework of relativistic many-body theory to accurately treat correlation corrections in atoms with few valence electrons. This method combines the all-order approach currently used in precision…

Atomic Physics · Physics 2009-09-01 M. S. Safronova , M. G. Kozlov , W. R. Johnson , Dansha Jiang