Related papers: Time-dependent natural orbitals and occupation num…
For Dirac equation, operator-invariants containing explicit time-dependence in parallel to known time-dependent invariants of nonrelativistic Schr\"odinger equation are introduced and discussed. As an example, a free Dirac particle is…
Occupancy processes are a broad class of discrete time Markov chains on $\{0,1\}^{n}$ encompassing models from diverse areas. This model is compared to a collection of $n$ independent Markov chains on $\{0,1\}$, which we call the…
Transport properties of open chaotic ballistic systems and their statistics can be expressed in terms of the scattering matrix connecting incoming and outgoing wavefunctions. Here we calculate the dependence of correlation functions of…
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 investigate the phenomenon of spacetime-localized response in a quantum critical spin system, with particular attention to how it depends on the spatial profile and operator content of the applied perturbation, as well as its robustness…
The strong boundary normalized condition of wavefunction for fully occupied semicore 3d orbitals leads the linear response DFT+U on such metal oxide to have an insurmountable obstacle in Hubbard U determination. We treated the orbital…
Leveraging scattering information to describe binary systems in generic orbits requires identifying local- and nonlocal-in-time tail effects. We report here the derivation of the universal (non-spinning) local-in-time conservative dynamics…
The time-dependent multiconfiguration self-consistent-field method based on the occupation-restricted multiple active space model is proposed (TD-ORMAS) for multielectron dynamics in intense laser fields. Extending the previously proposed…
Recently introduced time-dependent renormalized-natural orbital theory (TDRNOT) is extended towards a multi-component approach in order to describe H$_2^+$ beyond the Born-Oppenheimer approximation. Two kinds of natural orbitals, describing…
We examine time ordering effects in strongly, suddenly perturbed two-state quantum systems (kicked qubits) by comparing results with time ordering to results without time ordering. Simple analytic expressions are given for state occupation…
Quantum canonical transformations corresponding to time-dependent diffeomorphisms of the configuration space are studied. A special class of these transformations which correspond to time-dependent dilatations is used to identify a…
Standard approximations for the exchange-correlation functional are known to deviate from linear dependence of the energy on the electron and spin numbers (in -space). Violation of this flat-plane condition underlies the failure of all…
We prove a conditional local limit theorem for discrete-time fractional Brownian motions (dfBm) with Hurst parameter 3/4<H<1. Using results from infinite ergodic theory it is then shown that the properly scaled occupation time of dfBm…
The time-dependent pair correlation functions for a degenerate ideal quantum gas of charged particles in a uniform magnetic field are studied on the basis of equilibrium statistics. In particular, the influence of a flat hard wall on the…
Sticky Brownian motion on the real line can be obtained as a weak solution of a system of stochastic differential equations. We find the conditional distribution of the process given the driving Brownian motion, both at an independent…
Periodic orbits are fundamental to understand the dynamics of nonlinear systems. In this work, we focus on two aspects of interest regarding periodic orbits, in the context of a dissipative mapping, derived from a prototype model of a…
A growing list of experiments show orthorhombic electronic anisotropy in the iron pnictides, in some cases at temperatures well above the spin density wave transition. These experiments include neutron scattering, resistivity and…
We consider the time-independent scattering theory for time evolution operators of one-dimensional two-state quantum walks. The scattering matrix associated with the position-dependent quantum walk naturally appears in the asymptotic…
Previously, we demonstrated that the dynamics of kicked spin chains possess a remarkable duality property. The trace of the unitary evolution operator for $N$ spins at time $T$ is related to one of a non-unitary evolution operator for $T$…
The influence of correlation effects on the orbital moments for transition metals and their alloys is studied by first-principle relativistic Density Functional Theory in combination with the Dynamical Mean-Field Theory. In contrast to the…