Related papers: Time-dependent density functional theory with twis…
Time-dependent density-functional theory (TDDFT) is an extension of ground-state density-functional theory which allows the treatment of electronic excited states and a wide range of time-dependent phenomena in the linear and nonlinear…
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,…
Understanding quantum many-body systems with long-range or infinite-range interactions is of relevance across a broad set of physical disciplines, including quantum optics, nuclear magnetic resonance and nuclear physics. From a theoretical…
We develop a perturbation theory of quantum (and classical) master equations with slowly varying parameters, applicable to systems which are externally controlled on a time scale much longer than their characteristic relaxation time. We…
Time-dependent density functional theory (TDDFT) is a theory that describes the time evolution of quantum mechanical many-electron systems under the influence of external time-dependent electric and magnetic fields. INQ is a specially…
The increasing need to simulate the dynamics of photoexcited molecular and nanosystems in the sub-picosecond regime demands new efficient tools able to describe the quantum nature of matter at a low computational cost. By combining the…
The time-dependent density functional theory (TDDFT) has been broadly used to investigate the excited-state properties of various molecular systems. However, the current TDDFT heavily relies on outcomes from the corresponding ground-state…
An incident wave at a temporal interface, created by an abrupt change in system parameters, generates time-refracted and time-reflected waves. We find topological characteristics associated with the temporal interface that separates…
Understanding the thermodynamic properties of many-body quantum systems and their emergence from microscopic laws is a topic of great significance due to its profound fundamental implications and extensive practical applications. Recent…
We introduce a new analytical method for studying the open quantum systems problem of a discrete system weakly coupled to an environment of harmonic oscillators. Our approach is based on a phase space representation of the density matrix…
By using variational Monte Carlo and auxiliary-field quantum Monte Carlo methods, we perform an accurate finite-size scaling of the $s$-wave superconducting order parameter and the pairing correlations for the negative-$U$ Hubbard model at…
Due to a beneficial balance of computational cost and accuracy, real-time time-dependent density functional theory has emerged as a promising first-principles framework to describe electron real-time dynamics. Here we discuss recent…
Localized molecular orbitals are often used for the analysis of chemical bonds, but they can also serve to efficiently and comprehensibly compute linear response properties. While conventional canonical molecular orbitals provide an…
We study asymptotic state transformations in continuous variable quantum resource theories. In particular, we prove that monotones displaying lower semicontinuity and strong superadditivity can be used to bound asymptotic transformation…
Atomtronic devices are matter-wave circuits designed to emulate the functional behavior of their electronic counterparts. Motivated by superconducting quantum interference devices (SQUIDs), atomic quantum interference devices (AQUIDs) have…
We propose time-domain boundary integral and coupled boundary integral and variational formulations for acoustic scattering by linearly elastic obstacles. Well posedness along with stability and error bounds with explicit time dependence…
The effects of a boundary on reaction systems are examined in the framework of the general single-species reaction/coalescence process. The boundary naturally represents the reactants' container, but is applicable to exciton dynamics in a…
Nuclear quantum effects and non-Born--Oppenheimer effects play a vital role in many chemical and biological processes, motivating the incorporation of such effects into dynamical simulations. In real-time nuclear--electronic orbital…
A robust and efficient frequency dependent and non-local exchange-correlation $f_{xc}(r,r';\omega)$ is derived by imposing time-dependent density-functional theory (TDDFT) to reproduce the many-body diagrammatic expansion of the…
We introduce a general framework for defining context-dependent time distributions in quantum systems using projective measurements. The time-of-flow (TF) distribution, derived from population transfer rates into a measurement subspace,…