Related papers: Ground State Properties of Simple Elements from GW…
We have investigated the thermal equation of state of tantalum from first principles using the Linearized Augmented Plane Wave (LAPW) and pseudopotential methods for pressures up to 300 GPa and temperatures up to 10000 K. The equation of…
We present and compare several many-body methods as applied to two-dimensional quantum dots with circular symmetry. We calculate the approximate ground state energy using a harmonic oscillator basis optimized by Hartree-Fock (HF) theory and…
The $GW$ method for calculating quasi-particle energies of solids commonly begin from a DFT Hamiltonian and Kohn-Sham orbitals in a plane wave basis. Screening of the coulomb interaction is implemented using the inverse dielectric function…
We check the ab initio GW approximation and Bethe-Salpeter equation (BSE) many-body methodology against the exact solution benchmark of the hydrogen molecule H$_2$ ground state and excitation spectrum, and in comparison with the…
We solve analytically the $N\times N$ square lattice Hubbard model for even $N$ at half filling and weak coupling by a new approach. The exact ground state wave function provides an intriguing and appealing picture of the antiferromagnetic…
We report an all-electron, atomic orbital (AO) based, two-component (2C) implementation of the $GW$ approximation (GWA) for closed-shell molecules. Our algorithm is based on the space-time formulation of the GWA and uses analytical…
The parquet formalism and Hedin's $GW\gamma$ approach are unified into a single theory of vertex corrections, corresponding to an exact reformulation of the parquet equations in terms of boson exchange. The method has no drawbacks compared…
The Bethe-Salpeter equation (BSE) combined with the Green's function GW method has successfully transformed into a robust computational tool to describe light-matter interactions and excitation spectra for molecules, solids, and materials…
We report a successful combination of magnetic force linear response theory with quasiparticle self-consistent GW method. The self-consistently determined wavefunctions and eigenvalues can just be used for the conventional magnetic force…
State-specific approximations can provide an accurate representation of challenging electronic excitations by enabling relaxation of the electron density. While state-specific wave functions are known to be local minima or saddle points of…
The newly developed iterative method based on Green function defined by quadratures along a single trajectory is combined with the variational method to solve the ground state quantum wave function for central potentials. As an example, the…
We study the electromagnetic responses of $^4$He within the framework of the self-consistent continuum random phase approximation theory. In this approach the ground state properties are described by a Hartree-Fock calculation. The single…
We present a many-body approach to calculate the ground state properties of a system of electrons in a half-filled Landau level. Our starting point is a simplified version of the recently proposed trial wave function where one includes the…
The quasiparticle self-consistent QS$GW$ approach incorporates the corrections of the quasiparticle energies from their Kohn-Sham density functional theory (DFT) eigenvalues by means of an energy independent and Hermitian self-energy matrix…
The ground-state wave function and the energy gap are calculated for various layer separations d and for up to 24 electrons by the density matrix renormalization group (DMRG) method. Two-particle distribution function and excitonic…
The ground-state energy of a three-dimensional polaron gas in a magnetic field is investigated. An upper bound for the ground-state energy is derived within a variational approach which is based on a many-body generalization of the…
We have obtained the exact ground state wave functions of the Anderson-Hubbard model for different electron fillings on a 4x4 lattice with periodic boundary conditions - for 1/2 filling such ground states have roughly 166 million states.…
A nonequilibrium Green's functions (NEGF) approach for spatially inhomogeneous, strongly correlated artificial atoms is presented and applied to compute the time-dependent properties while starting from a (correlated) initial few-electron…
We consider the problem of finding a minimizer $u$ in $ H^1(\mathbb{R}^3)$ for the Hartree energy functional with convolution potential $w$ in $L^\infty(\mathbb{R}^3)+L^{3/2,\infty}(\mathbb{R}^3)$ with $L^\infty$ part vanishing at infinity.…
A simple approach to estimation of the ground state energy of quantum antiferromagnets is developed, based on the approximation that quantum fluctuations around different bonds are independent. The ground state energy estimates are as good…