Related papers: On the density-potential mapping in time-dependent…
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…
An approach to generalize any kind of collinear functionals in density functional theory to non-collinear functionals is proposed. This approach, for the very first time, satisfies the correct collinear limit for any kind of functionals,…
The Hohenberg-Kohn theorem of density-functional theory (DFT) is broadly considered the conceptual basis for a full characterization of an electronic system in its ground state by just the one-body particle density. Part I of this review…
We study the problem of determining uniquely a time-dependent singular potential $q$, appearing in the wave equation $\partial_t^2u-\Delta_x u+q(t,x)u=0$ in $Q=(0,T)\times\Omega$ with $T>0$ and $\Omega$ a $ \mathcal C^2$ bounded domain of…
We prove that the theorems of TDDFT can be applied to a class of qubit Hamiltonians that are universal for quantum computation. The theorems of TDDFT applied to universal Hamiltonians imply that single-qubit expectation values can be used…
Parasupersymmetry of the one dimensional time-dependent Schr\"odinger equation is established. It is intimately connected with a chain of the time-dependent Darboux transformations. As an example a parasupersymmetric model of…
Using a new state-dependent, $\lambda$-deformable, linear functional operator, ${\cal Q}_{\psi}^{\lambda}$, which presents a natural $C^{\infty}$ deformation of quantization, we obtain a uniquely selected non--linear, integro--differential…
We prove that if a solution of the discrete time-dependent Schr\"odinger equation with bounded real potential decays fast at two distinct times then the solution is trivial. For the free Shr\"odinger operator and for operators with…
In this work quantum physics in noncommutative spacetime is developed. It is based on the work of Doplicher et al. which allows for time-space noncommutativity. The Moyal plane is treated in detail. In the context of noncommutative quantum…
We show global uniqueness in an inverse problem for the fractional Schr\"odinger equation: an unknown potential in a bounded domain is uniquely determined by exterior measurements of solutions. We also show global uniqueness in the partial…
First-order nonadiabatic coupling matrix elements (fo-NACMEs) are the basic quantities in theoretical descriptions of electronically nonadiabatic processes that are ubiquitous in molecular physics and chemistry. Given the large size of…
The Feynman quantum-classical isomorphism between classical statistical mechanics in 3+1 dimensions and quantum statistical mechanics in 3 dimensions is used to connect classical polymer self-consistent field theory with quantum…
Based on the Schrodinger equation, exact expressions for the non-relativistic particle energy in the local external field and the external field potential are derived as inhomogeneous density functionals. On this basis, it is shown that,…
We propose an extension of the Schr\"odinger equation for a quantum system interacting with environment. This equation describes dynamics of auxiliary wave-functions $\mathbf{m}$, from which the system density matrix can be reconstructed as…
In ordinary, non-relativistic, quantum physics, time enters only as a parameter and not as an observable: a state of a physical system is specified at a given time and then evolved according to the prescribed dynamics. While the state can,…
A density-matrix formalism is developed based on the one-particle density-matrix of a single-determinantal reference-state. The v-representable problem does not appear in the proposed method, nor the need to introduce functionals defined by…
We show that the time-dependent Schr\"odinger equation (TDSE) is the phenomenological dynamical law of evolution unraveled in the classical limit from a timeless formulation in terms of probability amplitudes conditioned by the values of…
Analytical solutions to the time-dependent Shr\"{o}dinger equation in one dimension are developed for time-independent potentials, one consisting of an infinite wall and a repulsive delta function. An exact solution is obtained by means of…
Time-dependent orbital-free DFT is an efficient method for calculating the dynamic properties of large scale quantum systems due to the low computational cost compared to standard time-dependent DFT. We formalize this method by mapping the…
We determine the exact time-dependent non-idempotent one-particle reduced density matrix and its spectral decomposition for a harmonically confined two-particle correlated one-dimensional system when the interaction terms in the…