Related papers: Global dynamical correlation energies in covariant…
Very recently, we introduced a set of correlation consistent effective core potentials (ccECPs) constructed within full many-body approaches. By employing significantly more accurate correlated approaches we were able to reach a new level…
We find an unexpected scaling in the correlation energy of artificial atoms, i.e., harmonically confined two-dimensional quantum dots. The scaling relation is found through extensive numerical examinations including Hartree-Fock,…
We investigate energy correlators in semi-inclusive electron-positron annihilation as precision probes of parton hadronization dynamics. Using soft-collinear effective theory, we analyze the correlation patterns between the examined hadron…
The role of the exchange-correlation potential and the exchange-correlation kernel in the calculation of excitation energues from time-dependent density functional theory is studied. Excitation energies of the He and Be atoms are…
The ground state energy of the two--dimensional uniform electron gas has been calculated with fixed--node diffusion Monte Carlo, including backflow correlations, for a wide range of electron densities as a function of spin polarization. We…
Methods for estimating the correlation energy of molecules and other electronic systems are discussed based on the assumption that the correlation energy can be partitioned between atomic regions. In one method, the electron density is…
An approach to correlated dynamics of quantum nuclei and electrons both in dynamical interaction with external environments is presented. This stochastic quantum molecular dynamics rests on a theorem that establishes a one-to-one…
Correlation functions of energy flow operators (energy-energy correlators) are one of the simplest observables in quantum field theory and gravity, with diverse applications ranging from real world collider physics to constraining the space…
We investigate whether the entropic regularisation of the strictly-correlated-electrons problem can be used to build approximations for the kinetic correlation energy functional at large coupling strengths and, more generally, to gain new…
The random-phase approximation to the ground state correlation energy (RPA) in combination with exact exchange (EX) has brought Kohn-Sham (KS) density functional theory one step closer towards a universal, "general purpose first principles…
We discuss the systematics of ground-state quadrupole correlations of binding energies and mean-square charge radii for all even-even nuclei, from O16 up to the superheavies, for which data are available. To that aim we calculate their…
The approach to the calculation of quantum dynamical correlation functions is presented in the framework of the Mori theory. An unified treatment of classic and quantum dynamics is given in terms of Weyl representation of operators and…
Exact density functionals for the exchange and correlation energies are approximated in practical calculations for the ground-state electronic structure of a many-electron system. An important exact constraint for the construction of…
Multi-configurational approaches yield universal wave function parameterizations that can qualitatively well describe electronic structures along reaction pathways. For quantitative results, multi-reference perturbation theory is required…
Dynamical correlations of the spin and the energy density are investigated in the critical region of the random transverse-field Ising chain by numerically exact calculations in large finite systems (L<=128). The spin-spin autocorrelation…
The end-to-end energy - energy correlations of random transverse-field quantum Ising spin chains are computed using a generalization of an asymptotically exact real-space renormalization group introduced previously. Away from the critical…
The random phase approximation (RPA) for the electron correlation energy, combined with the exact-exchange energy, represents the state-of-the-art exchange-correlation functional within density-functional theory (DFT). However, the standard…
Optically-active solid-state systems such as self-assembled quantum dots, rare-earth ions, and color centers in diamond and SiC are promising candidates for quantum network, computing, and sensing applications. Although the nuclei in these…
Dynamical Coherent-Potential Approximation (CPA) to correlated electrons has been extended to a system with realistic Hamiltonian which consists of the first-principles tight-binding Linear Muffintin Orbital (LMTO) bands and intraatomic…
In order to assess the accuracy of commonly used approximate exchange-correlation density functionals, we present a comparison of accurate exchange and correlation potentials, exchange energy densities and energy components with the…