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Quantum field theory (QFT) based on the principles of special relativity (SR) and it is in fact the \emph{kinematic theory of fields}. The root assumption is that there is "relativistic description" of \emph{any} isolated quantum system in…

General Physics · Physics 2018-08-02 Peter Leifer

Constrained density functional theory (cDFT) is a versatile electronic structure method that enables ground-state calculations to be performed subject to physical constraints. It thereby broadens their applicability and utility. Automated…

Other Condensed Matter · Physics 2016-08-03 David D. O'Regan , Gilberto Teobaldi

Quantum complexity quantifies the difficulty of preparing a state or implementing a unitary transformation with limited resources. Applications range from quantum computation to condensed matter physics and quantum gravity. We seek to…

The advent in this century of nano and microelectronics requires, by part of physicists and engineers, the need of an explanation of electrical phenomena such as the interaction of a body with external electric fields at its atomic…

Materials Science · Physics 2020-11-24 S. Selenu

We discuss a simple procedure for computing one-loop quantum energies of any static field configuration that depends non-trivially on only a single spatial coordinate. We specifically focus on domain wall-type field configurations that…

High Energy Physics - Theory · Physics 2009-10-31 Andrei Parnachev , Laurence G. Yaffe

The frequency-dependent response of a one-dimensional fermion system is investigated using Current Density Functional Theory (CDFT) within the local approximation (LDA). DFT-LDA, and in particular CDFT-LDA, reproduces very well the…

Strongly Correlated Electrons · Physics 2010-04-01 Michael Dzierzawa , Ulrich Eckern , Stefan Schenk , Peter Schwab

The equations of stress equilibrium and strain compatibility/incompatibility are discussed for fields with point singularities in a planar domain. The sufficiency (or insufficiency) of the smooth maps, obtained by restricting the singular…

Analysis of PDEs · Mathematics 2021-07-23 Animesh Pandey , Anurag Gupta

Conformal field theory (CFT) has been extremely successful in describing large-scale universal effects in one-dimensional (1D) systems at quantum critical points. Unfortunately, its applicability in condensed matter physics has been limited…

Strongly Correlated Electrons · Physics 2017-02-15 Jérôme Dubail , Jean-Marie Stéphan , Jacopo Viti , Pasquale Calabrese

The ground state of an homogeneous electron gas is a paradigmatic state that has been used to model and predict the electronic structure of matter at equilibrium for nearly a century. For half a century, it has been successfully used to…

Chemical Physics · Physics 2024-06-11 Tim Gould , Stefano Pittalis

Density functional theory (DFT) is a widespread and effective tool in electronic structure calculations for ground-state electron systems. Its success has prompted exploration into the use of DFT for non-collective excited states. The delta…

Chemical Physics · Physics 2025-08-12 Ethan Pollack , Rohan Maniar , John P. Perdew

We present an accurate and efficient real-space formulation of the Hellmann-Feynman stress tensor for $\mathcal{O}(N)$ Kohn-Sham density functional theory (DFT). While applicable at any temperature, the formulation is most efficient at high…

Computational Physics · Physics 2020-08-26 Abhiraj Sharma , Sebastien Hamel , Mandy Bethkenhagen , John E. Pask , Phanish Suryanarayana

Gott spacetime has closed timelike curves, but no locally anomalous stress-energy. A complete orthonormal set of eigenfunctions of the wave operator is found in the special case of a spacetime in which the total deficit angle is $2\pi$. A…

High Energy Physics - Theory · Physics 2009-10-22 David G. Boulware

Time dependent quantum systems are the subject of intense inquiry, in mathematics, science, and engineering, particularly at the atomic and molecular levels. In 1984, Runge and Gross introduced time dependent density functional theory…

Analysis of PDEs · Mathematics 2021-02-24 Joseph W. Jerome

Density Functional Theory (DFT) is widely used for atomistic simulations. However, its reach stays limited due to several limitations such as lack of accurate exchange-correlation functional, requirement of costly O(N 3) diagonalization…

Quantum Physics · Physics 2026-05-18 Namrata Manglani , Samrit Kumar Maity , Shashank Sharma , Soham Phulare , Sanjay Wandhekar

A density functional theory (DFT) framework is presented that links functional derivatives of free-energy functionals to non-linear static density response functions in quantum many-body systems. Within this framework, explicit expressions…

The implementation of an efficient self-consistent field (SCF) method including both scalar relativistic effects and spin-orbit interaction in density functional theory (DFT) is presented. We make use of Gaussian-type orbitals (GTOs) and…

Chemical Physics · Physics 2024-05-03 Yannick J. Franzke , Werner M. Schosser , Fabian Pauly

We study the phenomenon of negative energy densities in quantum field theories with self-interaction. Specifically, we consider a class of integrable models (including the sinh-Gordon model) in which we investigate the expectation value of…

Mathematical Physics · Physics 2016-03-03 Henning Bostelmann , Daniela Cadamuro

Quantum field theory (QFT) on non-stationary spacetimes is well understood from the side of the algebra of observables. The state space, however, is largely unexplored, due to the non-existence of distinguished states (vacuum, scattering…

General Relativity and Quantum Cosmology · Physics 2018-09-25 Klaus Fredenhagen , Thomas-Paul Hack , Nicola Pinamonti

An approximate solution to the time-dependent density functional theory (TDDFT) response equations for finite systems is developed, yielding corrections to the single-pole approximation. These explain why allowed Kohn-Sham transition…

Materials Science · Physics 2009-11-07 H. Appel , E. K. U. Gross , K. Burke

We study the stress-energy tensor of a massless, conformally coupled, quantum scalar field in a rigidly-rotating thermal state on three- and four-dimensional anti-de Sitter space-time. We first find the stress-energy tensor using…

High Energy Physics - Theory · Physics 2025-08-08 Jacob C. Thompson , Elizabeth Winstanley