相关论文: Conserving quasiparticle calculations for small me…
We use an all-electron implementation of the GW approximation to analyze several possible sources of error in the theory and its implementation. Among these are convergence in the polarization and Green's functions, the dependence of QP…
Metallic nanoclusters displaying electronic shell structure exhibit the special feature of a correlation between their geometry and the number of delocalized electrons . Their shape evolution can be described as a quantum oscillation…
The properties of metallic systems with important and structured excitations at low energies, such as Cu, are challenging to describe with simple models like the plasmon pole approximation (PPA), and more accurate and sometimes prohibitive…
We present a highly parallelisable scheme for treating functional Renormalisation Group equations which incorporates a quasi-particle-based feedback on the flow and provides direct access to real-frequency self-energy data. This allows to…
We explore different variants of the random phase approximation (RPA) to the correlation energy derived from closed-shell ring-diagram approximations to coupled cluster doubles theory. We implement these variants in range-separated…
Correlations and the formation of bound states (nuclei) are essential for the properties of nuclear matter in equilibrium as well as in nonequilibrium. In a quantum statistical approach, quasiparticle energies are obtained for the light…
We theoretically study microwave absorption spectroscopy of fractional quantum Hall droplets in the presence of quasiparticle tunneling across a quantum point contact. This contact-free probe provides access to collective edge dynamics…
We present a calculation of the properties of vibrational states in deformed, axially--symmetric even--even nuclei, within the framework of a fully self--consistent Quasparticle Random Phase Approximation (QRPA). The same Skyrme energy…
Since the earliest implementations of the various GW approximations and cumulant expansion in the calculations of quasiparticle propagators and spectra, several attempts have been made to combine the advantageous properties and results of…
\textit{Ab initio} quantum Monte Carlo (QMC) methods in principle allow for the calculation of exact properties of correlated many-electron systems, but are in general limited to the simulation of a finite number of electrons $N$ in…
Modifications to the quasiparticle self-consistent GW (QSGW) method needed to correctly describe metal/vacuum interfaces and other systems having extended regions with small electron density are identified and implemented. The method's…
Properties of nuclear systems at subsaturation densities can be obtained from different approaches. We demonstrate the use of the density autocorrelation function which is related to the isothermal compressibility and, after integration, to…
An efficient all-electron G$^0$W$^0$ method and a quasiparticle selfconsistent GW (QSGW) method for molecules are proposed in the molecular orbital space with the full random phase approximation. The convergence with basis set is examined.…
We present a detailed discussion of the solution of Nambu-Gor'kov equations in superfluid nuclei, which provide a consistent framework to deal with the interplay between particle-hole and particle- particle channel, including the effects of…
We explore the possibilities of applying structure-preserving numerical methods to a plasma hybrid model with kinetic ions and mass-less fluid electrons satisfying the quasi-neutrality relation. The numerical schemes are derived by finite…
We present a coupled cluster and linear response theory to compute properties of many-electron systems at non-zero temperatures. For this purpose, we make use of the thermofield dynamics, which allows for a compact wavefunction…
We report an all-electron implementation of the quasiparticle self-consistent GW (QSGW) method for molecular and periodic systems within the framework of numerical atomic orbitals (NAOs), as implemented in the LibRPA software package. Our…
We propose a self-consistent quasi-particle random phase approximation (QRPA) plus quasi-particle-vibration coupling (QPVC) model with Skyrme interactions to describe the width and the line shape of giant resonances in open-shell nuclei, in…
An approximate but straight forward projection method to molecular many alpha-particle states is proposed and the overlap to the shell model space is determined. The resulting space is in accordance with the shell model, but still contains…
We formulate a microscopic theory to calculate cross section of the radiative neutron capture on neutron-rich nuclei using the continuum quasiparticle random-phase approximation. This formulation is designed to be applied to neutron-rich…