相关论文: Unique Quantum Stress Fields

Density functional theory (DFT) has transformed our ability to investigate and understand electronic ground states. In its original formulation, however, DFT is not suited to addressing (e.g.) degenerate ground states, mixed states with…

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. We…

It is shown that different pairs of stress-energy and spin tensors of quantum relativistic fields related by a pseudo-gauge transformation, i.e. differing by a divergence, imply different mean values of physical quantities in…

A covariant description of quantum matter fields in the early universe underpins models for the origin of species, e.g. baryogenesis and dark matter production. In nearly all cases the relevant cosmological observables are computed in a…

Density functional theory (DFT) is an indispensable ab initio method in both quantum chemistry and condensed matter physics. Based on recent advancements in reduced density matrix functional theory (RDMFT), a variant of DFT that is believed…

We develop a new density functional theory (DFT) and formalism for correlated electron systems by taking as reference an interacting electron system that has a ground state wavefunction which obeys exactly the Gutzwiller approximation for…

We have computed the low energy quantum states and low frequency dynamical susceptibility of complex quantum spin systems in the limit of strong interactions, obtaining exact results for system sizes enormously larger than accessible…

This chapter provides a basic introduction to excited-state extensions of density functional theory (DFT), including time-dependent (TD-)DFT in both its linear-response and its explicitly time-dependent formulations. As applied to the…

We introduce 'single-particle-exact density functional theory' (1pEx-DFT), a novel density functional approach that represents all single-particle contributions to the energy with exact functionals. Here, we parameterize interaction energy…

We obtain a form of the local thermodynamic equilibrium density operator which is invariant under pseudo-gauge transformations of the stress-energy and the spin tensors. This operator is an excellent candidate to describe the dynamics of a…

Density functional theory (DFT) exploits an independent-particle-system construction to replicate the densities and current of an interacting system. This construction is used here to access the exact effective potential and bias of…

Quantum energy inequalities (QEIs) are state-independent lower bounds on weighted averages of the stress-energy tensor, and have been established for several free quantum field models. We present rigorous QEI bounds for a class of…

Density functional theory (DFT), the most widely adopted method in modern computational chemistry, fails to describe accurately the electronic structure of strongly correlated systems. Here we show that DFT can be formally and practically…

When can we map a classical density profile to an external potential? In equilibrium, without time dependence, the one-body density is known to specify the external potential that is applied to the many-body system. This mapping from a…

Deep-learning density functional theory (DFT) shows great promise to significantly accelerate material discovery and potentially revolutionize materials research. However, current research in this field primarily relies on data-driven…

In the framework of quantum thermodynamics, we propose a method to quantitatively describe thermodynamic quantities for out-of-equilibrium interacting many-body systems. The method is articulated in various approximation protocols which…

The time-dependent density functional theory (TDDFT) provides a unified description of the structure and reaction. The linear approximation leads to the random-phase approximation (RPA) which is capable of describing a variety of collective…

We present a complete analytical solution for the stress field inside a homogeneous, inside a homogeneous, linearly elastic solid sphere subjected to a concentrated normal load applied on its surface. Starting from the three-dimensional…

Dynamical mean-field theory (DMFT) is a non-perturbative technique for the investigation of correlated electron systems. Its combination with the local density approximation (LDA) has recently led to a material-specific computational scheme…

The expectation values of energy density and pressure of a quantum field inside a wedge-shaped region appear to violate the expected relationship between torque and total energy as a function of angle. In particular, this is true of the…