Related papers: On the "Causality Paradox" of Time-Dependent Densi…
Time-dependent density-functional theory (TDDFT) is a formally exact approach to the time-dependent electronic many-body problem which is widely used for calculating excitation energies. We present a survey of the fundamental framework,…
We extend the recently developed causal superfermion approach to the real-time transport theory to time-dependent decay problems.Its usefulness is illustrated for the Anderson model of a quantum dot with tunneling rates depending on spin…
In 1957, Lindley published "A statistical paradox" in Biometrika, revealing a fundamental conflict between frequentist and Bayesian inference as sample size approaches infinity. We present a new paradox of a different kind: a conflict…
The letter submitted is an executive summary of our previous paper. To solve the Einstein Podolsky Rosen 'paradox' the two boundary quantum mechanics is taken as self consistent interpretation of quantum dynamics. The difficulty with this…
We review the progress that has been recently made in the application of time-dependent density functional theory to thermoelectric phenomena. As the field is very young, we emphasize open problems and fundamental issues. We begin by…
We investigate when Taylor expansions can be used to prove the Runge-Gross Theorem, which is at the foundation of Time-Dependent Density Functional Theory (TDDFT). We start with a general analysis of the conditions for the Runge-Gross…
Time-dependent density functional theory (TDDFT) is a standard approach for calculating optical excitations of molecules and solids, while ensemble DFT (EDFT) is a promising alternative under development. We introduce ensemble TDDFT…
Basic issues of the time-dependent density-functional theory are discussed, especially on the real-time calculation of the linear response functions. Some remarks on the derivation of the time-dependent Kohn-Sham equations and on the…
A fundamental challenge in causal inference with observational data is correct specification of a causal model. When there is model uncertainty, analysts may seek to use estimates from multiple candidate models that rely on distinct, and…
Using the Runge-Gross theorem that establishes the foundation of Time-dependent Density Functional Theory (TDDFT) we prove that for a given electronic Hamiltonian, choice of initial state, and choice of fragmentation, there is a unique…
We propose a systematic and constructive way to determine the exchange-correlation potentials of density-functional theories including vector potentials. The approach does not rely on energy or action functionals. Instead it is based on…
We analyze possible nonlinear exciton-exciton correlation effects in the optical response of semiconductors by using a time-dependent density-functional theory (TDDFT) approach. For this purpose, we derive the nonlinear (third-order) TDDFT…
Understanding and quantifying causal relationships between variables is essential for reasoning about the physical world. In this work, we develop a resource-theoretic framework to do so. Here, we focus on the simplest nontrivial setting --…
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…
The "obesity paradox" has been reported in several observational studies, where obesity was shown to be associated to a decreased mortality in individuals suffering from a chronic disease, such as diabetes or heart failure. Causal arguments…
On the basis of the Woodhouse causal axiomatics, we show that conformal proper times and an extra variable in addition to those of space and time, precisely and physically identified from experimental examples, together give a physical…
The study of causal relations has recently been applied to the quantum realm, leading to the discovery that not all physical processes have a definite causal structure. While indefinite causal processes have previously been experimentally…
An extension of the Hellmann-Feynman theorem to one employing dynamical parameters that vary with time according to quantum dynamics is rigorously derived, avoiding any linear response or other approximations. The resulting theorem for the…
We consider the dependence of the recently proposed action/complexity duality conjecture on time and on the underlying topology of the bulk spacetime. For the former, we compute the dependence of the CFT complexity on a boundary temporal…
It is shown that the exchange-correlation part of the action functional $A_{xc}[\rho (\vec r,t)]$ in time-dependent density functional theory , where $\rho (\vec r,t)$ is the time-dependent density, is invariant under the transformation to…