Related papers: Assessing the Global Natural Orbital Functional Ap…
The out-of-time-order correlator (OTOC) has emerged as a central tool for quantifying decoherence across wide-ranging physical platforms. Here we demonstrate its direct measurement in a classical ensemble using nuclear magnetic resonance…
We present a natural orbital-based implementation of the intermediate Hamiltonian Fock space coupled-cluster method for (1,1) sector of Fock space. The use of natural orbital significantly reduces the computational cost and can…
Connecting orbits are important invariant structures in the state space of nonlinear systems and various techniques are designed for their computation. However, a uniform analytic approximation of the whole orbit seems rare. Here, based on…
Localized orbital coupled cluster theory has recently emerged as an nonempirical alternative to DFT for large systems. Intuitively, one might expect such methods to perform less well for highly delocalized systems. In the present work, we…
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…
We review various approaches to approximating general relativistic effects in hydrodynamic simulations of stellar core collapse and post-bounce evolution. Different formulations of a modified Newtonian gravitational potential are presented.…
We study a one-dimensional system composed of three charged bosons confined in an external harmonic potential. More precisely, we investigate the ground-state correlation properties of the system, paying particular attention to the…
In this paper, a new parametrization of the relative motion between two satellites orbiting a central body is presented. The parametrization is based on the nodal elements: a set of angles describing the orbit geometry with respect to the…
The description of interacting many-electron systems in external magnetic fields is considered in the framework of the optimized effective potential method extended to current-spin-density functional theory. As a case study, a…
Semiempirical molecular orbital (SEMO) models based on the neglect of diatomic differential overlap (NDDO) approximation efficiently solve the self-consistent field equations by rather drastic approximations. The computational efficiency…
We explore the performance of an updated effective-one-body (EOB) model for spin-aligned coalescing black hole binaries designed to deal with any orbital configuration. The model stems from previous work involving the \TEOBResumS{} waveform…
The multi-configurational self-consistent field theory is considered the standard starting point for almost all multireference approaches required for strongly-correlated molecular problems. The limitation of the approach is generally given…
To explore the applicability of orbital-free density functional theory (OF-DFT) in nuclear physics, we perform a systematic benchmark of 36 one-point kinetic energy density functionals, which are originally developed for electron systems in…
The Fully Constrained Formulation (FCF) of General Relativity is a novel framework introduced as an alternative to the hyperbolic formulations traditionally used in numerical relativity. The FCF equations form a hybrid elliptic-hyperbolic…
Using an energy variational method, we calculate quasi-equilibrium configurations of binary neutron stars modeled as compressible triaxial ellipsoids obeying a polytropic equation of state. Our energy functional includes terms both for the…
Despite recent advances, systematic quantitative treatment of the electron correlation problem in extended systems remains a formidable task. Systematically improvable Green's function methods capable of quantitatively describing weak and…
The nuclear-electronic orbital (NEO) approach incorporates nuclear quantum effects into quantum chemistry calculations by treating specified nuclei quantum mechanically, equivalently to the electrons. Within the NEO framework, excited…
We present a real-space formulation and higher-order finite-difference implementation of periodic Orbital-free Density Functional Theory (OF-DFT). Specifically, utilizing a local reformulation of the electrostatic and kernel terms, we…
Orbital Kondo effect is treated in a model, where additional to the conduction band there are localized orbitals close to the Fermi energy. If the hopping between the conduction band and the localized heavy orbitals depends on the…
The hydrogen molecules $H_2$ and $(H_2)_2$ are analyzed with electronic correlations taken into account between the $1s$ electrons exactly. The optimal single-particle Slater orbitals are evaluated in the correlated state of $H_2$ by…