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The full analytical solution of the Schr\"{o}dinger equation for the hydrogen molecular ion $H_2^+$ (special case of the quantum tree-body problem with the Coulomb interaction) is obtained first. The solution shows that the total wave…

Quantum Physics · Physics 2015-08-18 A. V. Mitin

We study the energy of quasi-particles in graphene within the Hartree-Fock approximation. The quasi-particles are confined via an inhomogeneous magnetic field and interact via the Coulomb potential. We show that the associated functional…

Mesoscale and Nanoscale Physics · Physics 2010-05-07 R. Egger , A. De Martino , H. Siedentop , E. Stockmeyer

An differential equation for wave functions is proposed, which is equivalent to Schr\"{o}dinger's wave equation and can be used to determine energy-level gaps of quantum systems. Contrary to Schr\"{o}dinger's wave equation, this equation is…

Quantum Physics · Physics 2007-05-23 Zeqian Chen

We introduce an energy functional for ground-state electronic structure calculations. Its variables are the natural spin-orbitals of singlet many-body wave functions and their joint occupation probabilities deriving from controlled…

Chemical Physics · Physics 2016-12-04 Ralph Gebauer , Morrel H. Cohen , Roberto Car

A three-body potential function can account for interactions among triples of particles which are uncaptured by pairwise interaction functions such as Coulombic or Lennard-Jones potentials. Likewise, a multibody potential of order $n$ can…

Computational Physics · Physics 2015-05-28 Dongryeol Lee , Arkadas Ozakin , Alexander G. Gray

The system of particles interacting via multibody interatomic potential of general form is considered. Possible variants of partition of the total force acting on a single particle into pair contributions are discussed. Two definitions for…

Materials Science · Physics 2013-10-11 Vitaly A. Kuzkin

We obtain the combined mean-field and semiclassical limit from the $N$-body Schr\"{o}dinger equation for fermions interacting via singular potentials. To obtain the result, we first prove the uniformity in Planck's constant $h$ propagation…

Analysis of PDEs · Mathematics 2024-10-03 Jacky J. Chong , Laurent Lafleche , Chiara Saffirio

Ion-mediated interaction is important for the properties of polyelectrolytes such as colloids and nucleic acids. The effective pair interactions between two polyelectrolytes have been investigated extensively, but the many-body effect for…

Soft Condensed Matter · Physics 2016-08-19 Xi Zhang , Jin-Si Zhang , Ya-Zhou Shi , Xiao-Long Zhu , Zhi-Jie Tan

We consider the time evolution of N bosonic particles interacting via a mean field Coulomb potential. Suppose the initial state is a product wavefunction. We show that at any finite time the correlation functions factorize in the limit $N…

Mathematical Physics · Physics 2007-05-23 Laszlo Erdos , Horng-Tzer Yau

The mean field dynamics of an $N$-particle weekly interacting Boson system can be described by the nonlinear Hartree equation. In this paper, we present estimates on the 1/N rate of convergence of many-body Schr\"{o}dinger dynamics to the…

Mathematical Physics · Physics 2011-06-14 Li Chen , Ji Oon Lee

For a general two-body bound state in quantum mechanics, both in the stable and decaying cases, we establish a way to extract its two-body wave function in momentum space from the scattering amplitude of the constituent two particles. For…

Quantum Physics · Physics 2017-03-08 Takayasu Sekihara

A new method is presented to reconstruct the potential of a quantum mechanical many-body system from observational data, combining a nonparametric Bayesian approach with a Hartree-Fock approximation. A priori information is implemented as a…

Nuclear Theory · Physics 2009-10-31 J. C. Lemm , J. Uhlig

Describing the Coulomb interactions between electrons in atomic or molecular systems is an important step to help us obtain accurate results for the different observables in the system. One convenient approach is to separate the dynamic…

Chemical Physics · Physics 2025-01-22 Claude Le Sech , Antonio Sarsa

A generating coordinate is introduced into the exchange-correlation functional of density-functional theory (DFT). The many-body wave function is represented as a superposition of Kohn-Sham (KS) Slater determinants arising from different…

Materials Science · Physics 2009-11-07 K. Capelle

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

In non-relativistic quantum mechanics of $N$ particles in three spatial dimensions, the wave function $\psi(q_1,\ldots,q_N,t)$ is a function of $3N$ position coordinates and one time coordinate. It is an obvious idea that in a relativistic…

Quantum Physics · Physics 2018-01-24 Matthias Lienert , Sören Petrat , Roderich Tumulka

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

Many-body theory is largely based on self-consistent equations that are constructed in terms of the physical quantity of interest itself, for example the density. Therefore, the calculation of important properties such as total energies or…

Materials Science · Physics 2015-10-28 Adrian Stan , Pina Romaniello , Santiago Rigamonti , Lucia Reining , J. A. Berger

We investigate analytically the performance of many-body energy functionals, derived respectively by Klein and Luttinger and Ward, at different levels of diagrammatic approximations, ranging from second Born, to GW, to the so-called…

Strongly Correlated Electrons · Physics 2024-04-26 Giovanna Lani , Nicola Marzari

A self-contained pedagogical introduction to the functional Schr\"{o}dinger picture method of many-body theory is given at a level suitable for graduate students and also for many-body physicists who have not been exposed to the functional…

Strongly Correlated Electrons · Physics 2007-05-23 Chul Koo Kim , Sang Koo You