Related papers: Efficient Quasiparticle Determination beyond the D…
Excited states of molecules lie in the heart of photochemistry and chemical reactions. The recent development in quantum computational chemistry leads to inventions of a variety of algorithms that calculate the excited states of molecules…
Quantum black holes are difficult to describe. We consider two seemingly divergent approaches, high-energy scattering and the proposal to regard black holes as Bose-Einstein condensates of gravitons, and establish a connection between them.…
The dominantly orbital state method allows a semiclassical description of quantum systems. At the origin, it was developed for two-body relativistic systems. Here, the method is extended to treat two-body Hamiltonians and systems with three…
We propose a new type of approximate counting algorithms for the problems of enumerating the number of independent sets and proper colorings in low degree graphs with large girth. Our algorithms are not based on a commonly used Markov chain…
Accurate three-body quantal calculations of the system composed of a proton, an antiproton, and an electron are performed in perimetric coordinates with the Lagrange-mesh method, an approximate variational calculation with the simplicity of…
For many systems with quenched disorder the study of ground states can crucially contribute to a thorough understanding of the physics at play, be it for the critical behavior if that is governed by a zero-temperature fixed point or for…
This paper examines the effectiveness of the Dyson-Schwinger (DS) equations as a calculational tool in quantum field theory. The DS equations are an infinite sequence of coupled equations that are satisfied exactly by the connected Green's…
We numerically implement a quasi-spherical approximation scheme for computing gravitational waveforms for coalescing black holes, testing it against angular momentum by applying it to Kerr black holes. As error measures, we take the…
Asymptotically exact results are obtained for the average Green function and the density of states in a Gaussian random potential for the space dimensionality d=4-epsilon over the entire energy range, including the vicinity of the mobility…
Capturing the correlation emerging between constituents of many-body systems accurately is one of the key challenges for the appropriate description of various systems whose properties are underpinned by quantum mechanical fundamentals.…
The electronic density of states (DOS) quantifies the distribution of the energy levels that can be occupied by electrons in a quasiparticle picture, and is central to modern electronic structure theory. It also underpins the computation…
We develop a self-consistent first-principle method based on the density functional theory. Physical quantities, such as the density of states, Fermi energy and electron density are obtained using a time-dependent random state method…
Quantum Monte Carlo methods are first-principle approaches that approximately solve the Schr\"odinger equation stochastically. As compared to traditional quantum chemistry methods, they offer important advantages such as the ability to…
The recently introduced nested sampling algorithm allows the direct and efficient calculation of the partition function of atomistic systems. We demonstrate its applicability to condensed phase systems with periodic boundary conditions by…
We present a modification of the $\Delta$SCF method of calculating energies of excited states, in order to make it applicable to resonance calculations of molecules adsorbed on metal surfaces, where the molecular orbitals are highly…
Electronic quantum entanglement between the central chain and the two electrodes in an infinite one-dimensional two-probe device system is studied. The entanglement entropy is calculated employing the nonequilibrium Green's function method…
We prove that the electron density function of a real physical system can be uniquely determined by its values on any finite subsystem. This establishes the existence of a rigorous density-functional theory for any open electronic system.…
We extend the concept of the multichannel Dyson equation that we have recently derived to model photoemission spectra by coupling the one- and the three-body Green's functions, to higher-order Green's functions and to other spectroscopies.…
Two recent landmark experiments have performed Gaussian boson sampling (GBS) with a non-programmable linear interferometer and threshold detectors on up to 144 output modes (see Refs.~\onlinecite{zhong_quantum_2020,zhong2021phase}). Here we…
Rydberg excited states of molecules pose a challenge for electronic structure calculations because of their highly diffuse electron distribution. Even large and elaborate atomic basis sets tend to underrepresent the long-range tail, overly…