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Time-dependent density functional theory (TDDFT) is presently enjoying enormous popularity in quantum chemistry, as a useful tool for extracting electronic excited state energies. This article discusses how TDDFT is much broader in scope,…

Other Condensed Matter · Physics 2007-05-23 Kieron Burke , Jan Werschnik , E. K. U. Gross

The fabrication, utilisation, and efficiency of quantum technologies rely on a good understanding of quantum thermodynamic properties. Many-body systems are often used as hardware for these quantum devices, but interactions between…

Strongly Correlated Electrons · Physics 2022-04-26 Krissia Zawadzki , Amy Skelt , Irene D'Amico

The establishment of a scalable scheme for quantum computing with addressable and long-lived qubits would be a scientific watershed, harnessing the laws of quantum physics to solve classically intractable problems. The design of many…

Quantum Physics · Physics 2010-04-23 N. Lundblad , J. M. Obrecht , I. B. Spielman , J. V. Porto

We derive two consequences of the distributional form of the stress equilibrium condition while incorporating piecewise smooth stress and body force fields with singular concentrations on an interface. First we obtain the local equilibrium…

Mathematical Physics · Physics 2022-08-31 Animesh Pandey , Anurag Gupta

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 present a local density approximation (LDA) for one-dimensional (1D) systems interacting via the soft-Coulomb interaction based on quantum Monte-Carlo calculations. Results for the ground-state energies and ionization potentials of…

Strongly Correlated Electrons · Physics 2015-05-27 N. Helbig , J. I. Fuks , M. Casula , M. J. Verstraete , M. A. L. Marques , I. V. Tokatly , A. Rubio

It is shown how quantum field theory at finite temperature can be used to set up self-consistent and gauge invariant equations for cosmological perturbations sustained by an ultrarelativistic plasma. While in the collisionless case, the…

General Relativity and Quantum Cosmology · Physics 2016-08-31 Anton K. Rebhan

In the local density approximation (LDA) for electronic time-dependent current-density functional theory (TDCDFT) many-body effects are described in terms of the visco-elastic constants of the homogeneous three-dimensional electron gas. In…

Mesoscale and Nanoscale Physics · Physics 2009-11-13 Roberto D'Agosta , Massimiliano Di Ventra , Giovanni Vignale

We present an approach for reconstructing the distribution of electronic internal quantum pressure in the electronic continuum of solids from the experimental electron density. Using the formalism of the density functional theory, we obtain…

Materials Science · Physics 2018-12-18 Vladimir G. Tsirelson , Adam I. Stash , Ilya V. Tokatly

We provide a new formulation of Time-Dependent Density Functional Theory (TDDFT) based on the geometric structure of the set of states constrained to have a fixed density. Orbital-free TDDFT is formulated using a hydrodynamics equation…

The stress-energy tensor of the quantum vacuum is studied for the particular case of quantum electrodynamics (QED), that is a fictituous universe where only the electromagnetic and the electron-positron fields exist. The integrals involved…

General Relativity and Quantum Cosmology · Physics 2015-05-12 Emilio Santos

Density fitting is used throughout quantum chemistry to simplify the electron-electron interaction energy (EE). A fundamental property of quantum chemistry, and DFT in particular, is that a variational principle connects the EE to a…

Materials Science · Physics 2016-06-08 Brett I Dunlap , Mark C Palenik

This chapter presents the development of a density functional theory (DFT)-based method for accurate, reliable treatment of various resonances in atoms. Many of these are known to be notorious for their strong correlation, proximity to more…

Chemical Physics · Physics 2019-04-19 Amlan K. Roy

For quantum fields on a curved spacetime with an Euclidean section, we derive a general expression for the stress energy tensor two-point function in terms of the effective action. The renormalized two-point function is given in terms of…

General Relativity and Quantum Cosmology · Physics 2016-08-31 Nicholas G. Phillips , B. L. Hu

The relativistic theory of gravitation has the considerable difficulties by description of the gravitational field energy. Pseudotensor t00 in the some cases cannot be interpreted as energy density of the gravitational field. In [1] the…

General Relativity and Quantum Cosmology · Physics 2007-06-22 Roald Sosnovskiy

A quantum kinetic theory for correlated charged-particle systems in strong time-dependent electromagnetic fields is developed. Our approach is based on a systematic gauge-invariant nonequilibrium Green's functions formulation. Extending our…

Statistical Mechanics · Physics 2015-06-25 M. Bonitz , Th. Bornath , D. Kremp , M. Schlanges , W. D. Kraeft

In the spirit of recently developed LDA+U and LDA+DMFT methods we implement a combination of density functional theory in its local density approximation (LDA) with a $k$- and $\omega -$dependent self-energy found from diagrammatic…

Strongly Correlated Electrons · Physics 2018-04-17 Sergey Y. Savrasov , Giacomo Resta , Xiangang Wan

The recently-conjectured Kerr/CFT correspondence posits a field theory dual to dynamics in the near-horizon region of an extreme Kerr black hole with certain boundary conditions. We construct a boundary stress tensor for this theory via…

High Energy Physics - Theory · Physics 2015-05-13 Aaron J. Amsel , Donald Marolf , Matthew M. Roberts

In a recent paper [J. Math. Phys. 47 082303 (2006)], Quantum Energy Inequalities were used to place simple geometrical bounds on the energy densities of quantum fields in Minkowskian spacetime regions. Here, we refine this analysis for…

Mathematical Physics · Physics 2008-11-26 Simon P. Eveson , Christopher J. Fewster

Density functional theory (DFT) offers a desirable balance between quantitative accuracy and computational efficiency in practical many-electron calculations. Its central component, the exchange-correlation energy functional, has been…