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We show that the energetics and lifetimes of resonances of finite systems under an external electric field can be captured by Kohn--Sham density functional theory (DFT) within the formalism of uniform complex scaling. Properties of…

A fermion ground state energy functional is set up in terms of particle density, relative pair density, and kinetic energy tensor density. It satisfies a minimum principle if constrained by a complete set of compatibility conditions. A…

Chemical Physics · Physics 2009-10-17 Bin Liu , Jerome K. Percus

In nuclear physics, Density Functional Theory (DFT) provides the basis for state-of-the art studies of ground-state properties of heavy nuclei. However, the direct relation of the density functional underlying these calculations and the…

Nuclear Theory · Physics 2016-12-21 Sandra Kemler , Martin Pospiech , Jens Braun

We present an {\it ab initio} calculation of small numbers of trapped, strongly interacting fermions using the Green's Function Monte Carlo method (GFMC). The ground state energy, density profile and pairing gap are calculated for particle…

Atomic Physics · Physics 2009-02-05 S. Y. Chang , G. F. Bertsch

A Hydrogen atom immersed in a finite jellium sphere is solved using variational quantum Monte Carlo (VQMC). The same system is also solved using density functional theory (DFT), in both the local spin density (LSDA) and self-interaction…

Strongly Correlated Electrons · Physics 2009-11-13 Andrew I. Duff , James F. Annett

An ultracold Fermi atomic gas at unitarity presents universal properties that in the diluted limit can be well described by a contact interaction. By employing a guide function with correct boundary conditions and making simple…

Quantum Gases · Physics 2016-01-20 Renato Pessoa , S. Gandolfi , S. A. Vitiello , K. E. Schmidt

A quantitative and predictive theory of quantum light-matter interactions in ultra thin materials involves several fundamental challenges. Any realistic model must simultaneously account for the ultra-confined plasmonic modes and their…

We investigate the ground state properties of a one-dimensional two-component ultra-cold Fermi gas in an infinite potential well. Exact Bethe ansatz solution is used to calculate the many-body wave function of the system. Then we evaluate…

Statistical Mechanics · Physics 2008-07-15 Bo-Bo Wei , Jun-Peng Cao , Shi-Jian Gu , Hai-Qing Lin

We analyze the density functional theory (DFT) description of weak interactions by employing diffusion and reptation quantum Monte Carlo (QMC) calculations, for a set of benzene-molecule complexes. While the binding energies depend…

Materials Science · Physics 2015-05-14 Yosuke Kanai , Jeffrey C. Grossman

A density functional theory is proposed for strongly interacting fermions with arbitrary large negative scattering length. The functional has only two parameters that are directly fixed to reproduce the universal properties of unitary gas:…

Nuclear Theory · Physics 2016-11-03 Denis Lacroix

The very good performance of modern density functional theory for molecular geometries and harmonic vibrational frequencies has been well established. We investigate the performance of density functional theory (DFT) for quartic force…

Chemical Physics · Physics 2007-05-23 A. Daniel Boese , Wim Klopper , Jan M. L. Martin

We perform quantum Monte Carlo (QMC) calculations to determine minimum energy pathways of simple chemical reactions, and compare the computed geometries and reaction barriers with those obtained with density functional theory (DFT) and…

Chemical Physics · Physics 2015-06-12 Sebastiano Saccani , Claudia Filippi , Saverio Moroni

Classical density functional theory for finite temperatures is usually formulated in the grand-canonical ensemble where arbitrary variations of the local density are possible. However, in many cases the systems of interest are closed with…

Statistical Mechanics · Physics 2022-04-06 James F. Lutsko

I perform lattice Monte Carlo studies of universal four-component fermion systems in one spatial dimension. Continuum few-body observables (i.e., ground-state energies and integrated contact densities) are determined for both unpolarized…

High Energy Physics - Lattice · Physics 2013-06-25 Michael G. Endres

The static-response function of strongly interacting neutron matter contains crucial information on this interacting many-particle system, going beyond ground-state properties. In the present work, we tackle this problem with quantum Monte…

Nuclear Theory · Physics 2021-05-19 Mateusz Buraczynski , Samuel Martinello , Alexandros Gezerlis

The intrinsic nuclear shapes deviating from a sphere not only manifest themselves in nuclear collective states but also play important roles in determining nuclear potential energy surfaces (PES's) and fission barriers. In order to describe…

Nuclear Theory · Physics 2016-05-24 Shan-Gui Zhou

The quantum Monte Carlo (QMC) is one of the most promising many-body electronic structure approaches. It employs stochastic techniques for solving the stationary Schr\" odinger equation and for evaluation of expectation values. The key…

Other Condensed Matter · Physics 2007-12-20 Michal Bajdich

A recent description of an exact map for the equilibrium structure and thermodynamics of a quantum system onto a corresponding classical system is summarized. Approximate implementations are constructed by pinning exact limits (ideal gas,…

Statistical Mechanics · Physics 2015-04-14 Jeffrey Wrighton , James Dufty , Sandipan Dutta

We construct a density functional theory for two-dimension electron (hole) gases subjected to both strong magnetic fields and external potentials. In particular, we are focused on regimes near even-denominator filling factors, in which the…

Strongly Correlated Electrons · Physics 2019-03-11 Yinhan Zhang , Junren Shi

We develop a theoretical method going beyond the contact-interaction approximation frequently used in mean-field theories of many-fermion systems, based on the low-energy T-matrix of the pair potential to rigorously define the effective…

Quantum Gases · Physics 2011-11-03 Stefano Simonucci , Giovanni Garberoglio , Simone Taioli