Related papers: Experimentally constrained wave function method
n a recent paper we proposed the expansion of the space of variations in energy calculations by considering the approximate wave function $\psi$ to be a functional of functions $\chi: \psi = \psi[\chi]$ rather than a function. For the…
This paper gives applications of the enclosure method introduced by the author to typical inverse obstacle and crack scattering problems in two dimensions. Explicit extraction formulae of the convex hull of unknown polygonal sound-hard…
This paper reports an implementation of Hartree-Fock linear response with complex orbitals for computing electronic spectra of molecules in a strong external magnetic fields. The implementation is completely general, allowing for…
In this paper, we present a new multiscale method which is capable of coupling atomistic and continuum domains for high frequency wave propagation analysis. The problem of non-physical wave reflection, which occurs due to the change in…
Experimental control and detection of atoms and molecules often rely on optical transitions between different electronic states. In many cases, substructure such as hyperfine or spin-rotation structure leads to the need for multiple optical…
Sub-angstrom spatial resolution of electron density coupled with sub-femtosecond temporal resolution is required to directly observe the dynamics of the electronic structure of a molecule after photoinitiation or some other ultrafast…
Background: The Hartree-Fock mean-field approximation is standard in combination with energy density functionals (EDF) that account for some dynamical correlations. Breaking and restoring the symmetries of the system allow for the inclusion…
We present a scalable method for electrically tuning multiple spatially separated quantum dots embedded in photonic crystal waveguides. Ion implantation into the top p-doped layer of a p-i-n diode creates high-resistivity tracks, providing…
We develop an analytic, fully field-theoretic description of how a hadronic medium can induce photon condensation in a cavity. Starting from leading-order Chiral Perturbation Theory minimally coupled to Maxwell theory, we construct a…
This paper proposes a randomized optimization framework for constrained signal reconstruction, where the word "constrained" implies that data-fidelity is imposed as a hard constraint instead of adding a data-fidelity term to an objective…
We consider the extension of the standard single-determinant Kohn-Sham method to the case of a multiconfiguration trial wavefunction. By applying the rigorous Kohn-Sham method to this case, we construct the proper interacting and…
Waveguide Quantum Electrodynamics (WQED) offers a suitable stage for controlling the interaction of light with atoms, allowing for collective phenomena such as super- and subradiance. In a chiral waveguide setup, the quantum state evolves…
When the dynamics of a quantum system of interest is known, an informationally-complete set of observables is not needed for state reconstruction via tomographic techniques: letting the system evolve before performing the measurement allows…
We introduce an approach to improve single-reference coupled cluster theory in settings where the Aufbau determinant is absent from or plays only a small role in the true wave function. Using a de-excitation operator that can be efficiently…
Purpose: To develop a general phase regularized image reconstruction method, with applications to partial Fourier imaging, water-fat imaging and flow imaging. Theory and Methods: The problem of enforcing phase constraints in reconstruction…
We proposed a novel approach to coherent imaging of dynamic samples. The inter-frame similarity of the sample's local structures is found to be a powerful constraint in phasing a sequence of diffraction patterns. We devised a new image…
In this paper, we show that using measurements for different frequencies, and using ultrasound localized perturbations it is possible to extend the method of the imaging by elastic deformation developed by Ammari and al. [Electrical…
Embedded density functional theory (e-DFT) is used to describe the electronic structure of strongly interacting molecular subsystems. We present a general implementation of the Exact Embedding (EE) method [J. Chem. Phys. 133, 084103 (2010)]…
Holography relies on the interference between a known reference and a signal of interest to reconstruct both the amplitude and phase of that signal. Commonly performed with photons and electrons, it finds numerous applications in imaging,…
We introduce single and double particle-hole excitations in the recently revived spin-projected Hartree-Fock. Our motivation is to treat static correlation with spin-projection and recover the residual correlation, mostly dynamic in nature,…