相关论文: Challenges with relativistic GW calculations in so…
The impact of electronic correlation in nanoscale junctions, e.g. formed by single molecules, is analyzed using the single-impurity Anderson model. Numerically exact Quantum Monte Carlo calculations are performed to map out the orbital…
The theoretical description of materials' properties driven out of equilibrium has important consequences in various fields such as semiconductor spintronics, nonlinear optics, continuous and discrete quantum information science and…
Highly energetic, relativistic electrons are commonly present in many astrophysical systems, from solar flares to the intra-cluster medium, as indicated by observed electromagnetic radiation. However, open questions remain about the…
The symmetry-projected Hartree--Fock ansatz for the electronic structure problem can efficiently account for static correlation in molecules, yet it is often unable to describe dynamic correlation in a balanced manner. Here, we consider a…
Mathematical method of quantum phase space is very useful in physical applications like quantum optics and non-relativistic quantum mechanics. However, attempts to generalize it for the relativistic case lead to some difficulties. One of…
In order to investigate specific aspects of bound state calculations in a non-relativistic framework, we consider the energy-levels of a massive scalar particle, which moves in an external field and interacts in addition with a massless…
We investigate the effects of coupling a quantum-magnetic cavity field to molecules. Our high-precision auxiliary-field quantum Monte Carlo calculations capture the effect of the cavity field in the presence of electron correlations, and…
Several widely used methods for the calculation of band structures and photo emission spectra, such as the GW approximation, rely on Many-Body Perturbation Theory. They can be obtained by iterating a set of functional differential equations…
Using a variation of the celebrated Volkov solution, the Klein-Gordon equation for a charged particle is reduced to a set of ordinary differential equations, exactly solvable in specific cases. The new quantum relativistic structures can…
Using quasiparticle self-consistent $GW$ calculations, we re-examined the electronic structure of Sr$_2$RuO$_4$ and SrRuO$_3$. Our calculations show that the correlation effects beyond the conventional LDA (local density approximation) and…
Standard derivations of ``time-independent perturbation theory'' of quantum mechanics cannot be applied to the general case where potentials are energy dependent or where the inverse free Green function is a non-linear function of energy.…
Determining the physical Hilbert space is often considered the most difficult but crucial part of completing the quantization of a constrained system. In such a situation it can be more economical to use effective constraint methods, which…
A method for increasing the accuracy of configuration interaction (CI) calculations of molecules and other electronic systems is proposed. The energy defect of a given calculation is associated with the electron pair origin of…
This paper considers general relativistic (GR) effects in currently observed extrasolar planetary systems. Although GR corrections are small, they can compete with secular interactions in these systems and thereby play an important role.…
The understanding of stellar structure represents the crossroads of our theories of the nuclear force and the gravitational interaction under the most extreme conditions observably accessible. It provides a powerful probe of the strong…
Electron-phonon interactions are of great importance to a variety of physical phenomena, and their accurate description is an important goal for first-principles calculations. Isolated examples of materials and molecular systems have…
Quantum transport through single molecules is very sensitive to the strength of the molecule-electrode contact. Here, we investigate the behavior of a model molecular junction weakly coupled to external electrodes in the case where charging…
We analyze relativistic effects in transverse momentum using Quantum Molecular Dynamics [QMD] and its covariant extension Relativistic Quantum Molecular Dynamics [RQMD]. The strength of the relativistic effects is found to increase with the…
This thesis focuses on the application of numerical relativity methods to the solutions of problems in strong gravity. Our goal is the study of mergers of compact objects in the strong field regime where non-linear dynamics manifest and…
In this paper we analyze how radiation effects influence the correlation functions, the excess energy, and in turn the electron correlation energy of the quantized electron gas at temperature $T=0$. To that aim we resort to a statistical…