Related papers: Experimentally constrained wave function method
Point defects are of interest for many applications, from quantum sensing to modifying bulk properties of materials. Because of their localized orbitals, the electronic states are often strongly correlated, which has led to a proliferation…
The properties of semiconductors and functional dielectrics are defined by their response in electric fields, which may be perturbed by defects and the strain they generate. In this work, we demonstrate how diffraction-based X-ray…
A numerical algorithm for studying strongly correlated electron systems is proposed. The groundstate wavefunction is projected out after numerical renormalization procedure in the path integral formalism. The wavefunction is expressed from…
Structural response of crystals to an applied external perturbation is important as a key for understanding microscopic origin of physical properties. Experimental investigation of structural response is a great challenge for modern…
Charge-transfer excited states are highly relevant for applications in molecular electronics. However, the accurate calculation of these states in large systems is challenging since wave function methods are prohibitively expensive,…
We present a new procedure for quantum state reconstruction based on weak continuous measurement of an ensemble average. By applying controlled evolution to the initial state new information is continually mapped onto the measured…
Collective measurements can project a system into an entangled state with enhanced sensitivity for measuring a quantum phase, but measurement back-action has limited previous efforts to only modest improvements. Here we use a collective…
The manipulation of the motion of neutral molecules with electric or magnetic fields has seen tremendous progress over the last decade. Recently, these techniques have been extended to the manipulation of large and complex molecules. In…
Donor-based quantum devices in silicon are attractive platforms for universal quantum computing and analog quantum simulations. The nearly-atomic precision in dopant placement promises great control over the quantum properties of these…
A new method of the phase determination in X-ray crystallography is proposed. The method is based on the so-called "minimum charge" principle, recently suggested by Elser. The electron density function $\rho$ is sought in the form…
The efficient quantum state reconstruction algorithm described in [P. Six et al., Phys. Rev. A 93, 012109 (2016)] is experimentally implemented on the non-local state of two microwave cavities entangled by a circular Rydberg atom. We use…
We develop a new method to isolate localized defects from extended vibrational modes in disordered solids. This method augments particle interactions with an artificial potential that acts as a high-pass filter: it preserves small-scale…
In disordered materials under mechanical stress, the produced deformation can deviate from the affine one already in the elastic regime. The nonaffine contribution was observed and characterized in numerical simulations for various systems.…
We investigate the behavior of disordered interacting electrons in the insulating regime. Our study is based on the quantum Coulomb glass model which is obtained from the classical Coulomb glass by adding hopping matrix elements between…
We present an excited-state-specific coupled-cluster approach in which both the molecular orbitals and cluster amplitudes are optimized for an individual excited state. The theory is formulated via a pseudoprojection of the traditional…
The electronic wavefunction is at the heart of physical phenomena, defining the frontiers of quantum materials research. While the amplitude of the electron wavefunction in crystals can be measured with state-of-the-art probes in…
Processes related to electronically excited states are central in many areas of science, however accurately determining excited-state energies remains a major challenge in theoretical chemistry. Recently, higher energy stationary states of…
Multi-molecular excited states accompanied by an intra- and inter-molecular geometric relaxation are commonly encountered in optical and electrooptical studies and applications of organic semiconductors as, for example excimers or charge…
The Hartree-Fock based diagonalization is a computational method for the investigation of the low-energy properties of correlated electrons in disordered solids. The method is related to the quantum-chemical configuration interaction…
In contrast to the standard quantum state tomography, the direct tomography seeks the direct access to the complex values of the wave function at particular positions (i.e., the expansion coefficient in a fixed basis). Originally put…