Related papers: Quasiparticle Self-Consistent $GW$-Bethe-Salpeter …
Considering the fact that, a wide range of variation in masses of various states of heavy pseudoscalar and vector mesons can be seen in different models and the experimental data on masses of many of these states is not yet currently…
The \textit{ab initio} approach is used to evaluate the excitation energies of the $2s2p \, ^{2S+1}P_J$ states from the ground state as well as the $2s2p \, ^3P_1 \rightarrow 2s2p \, ^3P_0$ and $2s2p \, ^3P_2 \rightarrow 2s2p \, ^3P_1$…
We introduce a method that allows for the calculation of quasi-particle spectra in the GW approximation, yet avoiding any explicit reference to empty one-electron states. This is achieved by expressing the irreducible polarizability…
BerkeleyGW is a massively parallel computational package for electron excited-state properties that is based on the many-body perturbation theory employing the ab initio GW and GW plus Bethe-Salpeter equation methodology. It can be used in…
Recent research has shown that wavefunction evolution in real- and imaginary-time can generate quantum subspaces with significant utility for obtaining accurate ground state energies. Inspired by these methods, we propose combining quantum…
We present a machine learning (ML) framework that predicts $G_0W_0$ quasiparticle energies across molecular dynamics (MD) trajectories with high accuracy and efficiency. Using only DFT-derived mean-field eigenvalues and exchange-correlation…
The mass spectrum of heavy pseudoscalar mesons, described as quark-antiquark bound systems, is considered within the Bethe-Salpeter formalism with momentum-dependent masses of the constituents. This dependence is found by solving the…
Current quantum computers are limited in the number of qubits and coherence time, constraining the algorithms executable with sufficient fidelity. The variational quantum eigensolver (VQE) is an algorithm to find an approximate ground state…
We exploit theoretical results on the meson spectrum within the framework of a Bethe-Salpeter (BS) formalism adjusted for QCD, in order to extract an ``experimental'' coupling \alpha_s^{exp}(Q^2) below 1 GeV by comparison with the data. Our…
We present a first-principles method for relaxing a material's geometry in an optically excited state. This method, based on the Bethe-Salpeter equation, consists of solving coupled equations for exciton wavefunctions and atomic…
This paper is our progress report on the project "Ising spectroscopy", devoted to systematic study of the mass spectrum of particles in 2D Ising Field Theory in a magnetic field. Here we address the low-temperature regime, and develop…
We present an accurate approach to compute X-ray photoelectron spectra based on the $GW$ Green's function method, that overcomes shortcomings of common density functional theory approaches. $GW$ has become a popular tool to compute valence…
The mass spectrum of heavy pseudoscalar mesons, described as quark-antiquark bound systems, is considered within the Bethe-Salpeter formalism with momentum dependent masses of the constituents. This dependence is found by solving the…
Accurate and efficient calculations of absorption spectra of molecules and materials are essential for the understanding and rational design of broad classes of systems. Solving the Bethe-Salpeter equation (BSE) for electron-hole pairs…
S-substituted FeSe superconductors in the tetragonal phase display several unique features among iron-based superconductors, particularly the presence of zero-energy excitations in the superconducting (SC) state. The recent concept of…
Elucidating photochemical reactions is vital to understand various biochemical phenomena and develop functional materials such as artificial photosynthesis and organic solar cells, albeit its notorious difficulty by both experiments and…
In a previous work it was shown that the inclusion of exact exchange is essential for a first principles description of both the electronic- and the vibrational properties of TiSe$_2$, M. Hellgren et al. [Phys. Rev. Lett. 119, 176401…
We present a theoretical framework and implementation details for self-energy embedding theory (SEET) with the GW approximation for the treatment of weakly correlated degrees of freedom and configuration interactions solver for handing the…
Variational-Quantum-Eigensolver (VQE) method has been known as the method of chemical calculation using quantum computers and classical computers. This method also can derive the energy levels of excited states by…
Quantum chemical calculations have attracted much attention as a practical application of quantum computing. Quantum computers can prepare superpositions of electronic states with various numbers of electrons on qubits. This special feature…