相关论文: A complex Gaussian approach to molecular photoioni…
A basis set of generalized nonspherical Gaussian functions (GGTOs) is presented and discussed. As a first example we report on Born-Oppenheimer energies of the hydrogen molecule. Although accurate results have been obtained, we conclude…
Quantum algorithms for electronic-structure simulations are actively being developed, yet many hybrid quantum-classical approaches are bottlenecked by the measurement overhead associated with large molecular Hamiltonians. Here we introduce…
Gaussian building blocks are essential for photonic quantum information processing, and universality can be practically achieved by equipping Gaussian circuits with adaptive measurement and feedforward. The number of adaptive steps then…
A new quantum dynamical model has been developed to describe the dissociative ionization of deuterium molecular ions by intense laser pulses ($\tau=10$ fs, $\lambda=200$ nm and $I=3\times10^{13}$ W/cm$^{2}$). We calculated the ionization…
We formulate a computationally efficient time-independent method based on the multi-electron molecular R-matrix formalism. This method is used to calculate transition matrix elements for the multi-photon ionization of atoms and molecules…
We present new calculations of the inhomogeneous process of cosmological reionization by carefully following the radiative transfer in pre-computed hydrodynamical simulations of galaxy formation. These new computations represent an…
Hyperspherical partial wave theory has been applied here in a new way in the calculation of the triple differential cross sections for the ionization of hydrogen atoms by electron impact at low energies for various equal-energy-sharing…
The cross section for single K-shell ionization by a high-energy photon is evaluated in the next-to-leading order of the nonrelativistic perturbation theory with respect to the electron-electron interaction. The screening corrections are of…
Gaussian boson sampling (GBS) is a model of nonuniversal quantum computation that claims to demonstrate quantum supremacy with current technologies. This model entails sampling photocounting events from a multimode Gaussian state at the…
We present an approach for augmenting Gaussian atomic orbitals with correct nuclear cusps. Like the atomic orbital basis set itself, and unlike previous cusp corrections, this approach is independent of the many-body method used to prepare…
We have developed a theoretical method for interpretation of photoionization experiments with the H_3 molecule. In the present study we give a detailed description of the method, which combines multichannel quantum defect theory, the…
We describe an algorithm to generate temperature and polarization maps of the cosmic microwave background radiation containing non-Gaussianity of arbitrary local type. We apply an optimized quadrature scheme that allows us to predict and…
Gaussian boson sampling is a model of photonic quantum computing that has attracted attention as a platform for building quantum devices capable of performing tasks that are out of reach for classical devices. There is therefore significant…
Several total and partial photoionization cross section calculations, based on both theoretical and empirical approaches, are quantitatively evaluated with statistical analyses using a large collection of experimental data retrieved from…
We present a quasiparticle self-consistent $GW$ (QSGW) implementation for periodic systems based on crystalline Gaussian basis sets. Our QSGW approach is based on a full-frequency analytic continuation GW scheme with Brillouin zone sampling…
The R-matrix method has been used for theoretical calculation of electron collision with atoms and molecules for long years. The method was also formulated to treat photoionization process, however, its application has been mostly limited…
We present optimal schemes, based on photon number measurements, for Gaussian state tomography and for Gaussian process tomography. An $n$-mode Gaussian state is completely specified by $2 n^2+3n$ parameters. Our scheme requires exactly $2…
Imaging in real time the complete dynamics of a process as fundamental as photoemission has long been out of reach due to the difficulty of combining attosecond temporal resolution with fine spectral and angular resolutions. Here, we…
We present an experimental study on the photoionization dynamics of non-resonant one-color two-photon single valence ionization of neutral argon atoms. Using 9.3 eV photons produced via high harmonic generation and a 3-D momentum imaging…
High-order harmonic generation is a powerful and sensitive tool for probing atomic and molecular structures, combining in the same measurement an unprecedented attosecond temporal resolution with a high spatial resolution, of the order of…