Related papers: Ab initio potential energy surfaces for NH-NH with…
We compute the next-to-leading logarithmic (NLL) ultrasoft running of the spin-independent singlet potentials up to ${\cal O}(1/m^2)$, and the corresponding contribution to the spectrum. This includes the static energy at…
The phase shifts for the higher partial waves in the spin quartet and doublet channel of nd scattering are presented at next-to-leading and next-to-next-to-leading order in an effective field theory in which pions are integrated out. The…
Highly accurate potential energy surfaces are of key interest for the detailed understanding and predictive modeling of chemical systems. In recent years, several new types of force fields, which are based on machine learning algorithms and…
Surface energies for different GaAs surface orientations have been calculated as a function of the chemical potential. We use an energy density formalism within the first-principles pseudopotential density-functional approach. The…
The reconstruction of the exchange-correlation potential from accurate ab initio electron densities can provide insights into the limitations of the currently available approximate functionals and provide guidance for devising improved…
We present elastic and inelastic spin-changing cross sections for cold and ultracold NH($X\,^3\Sigma^-$) + NH($X\,^3\Sigma^-$) collisions, obtained from full quantum scattering calculations on an accurate \textit{ab initio} quintet…
Constructing an accurate atomistic model for the high-pressure phases of tin (Sn) is challenging because properties of Sn are sensitive to pressures. We develop machine-learning-based deep potentials for Sn with pressures ranging from 0 to…
We report state-of-the-art ab initio calculations of the potential energy curve for the $a^3\Sigma_u^+$ state of the lithium dimer conducted to achieve spectroscopic accuracy ($<$1cm$^{-1}$) without any prior adjustment to fit the…
We investigate asymmetric nuclear matter with two- and three-nucleon interactions based on chiral effective field theory, where three-body forces are fit only to light nuclei. Focusing on neutron-rich matter, we calculate the energy for…
We report an ab initio evaluation of the surface energy of a simple metal, performed via a coupling-constant integration over the dynamical density-response function. The rapid rate of change of the electron density at the surface is…
The ab initio no-core shell model (NCSM) is extended to include a realistic three-body interaction in calculations for p-shell nuclei. The NCSM formalism is reviewed and new features needed in calculations with three-body forces are…
The complex absorbing potential (CAP) technique is one of the commonly used Non-Hermitian quantum mechanics approaches for characterizing electronic resonances. CAP combined with various electronic structure methods has shown promising…
We present full accounts of a method to extract nucleon-nucleon (NN) potentials from the Bethe-Salpter amplitude in lattice QCD. The method is applied to two nucleons on the lattice with quenched QCD simulations. By disentangling the mixing…
The long-range terms of the subleading chiral three-nucleon force [published in Phys.\,Rev.\,C77, 064004 (2008)] are specified to the case of three neutrons. From these $3n$-interactions an effective density-dependent neutron-neutron…
The phase shifts for the higher partial waves (l\ge 1) in the spin quartet and doublet channel of nd scattering at centre-of-mass energies up to 15 MeV are presented at next-to-leading and next-to-next-to-leading order in an effective field…
An exponential version of a deep nucleon-nucleon potential involving forbidden states and a tensor component is proposed. The parameters of interaction are chosen by fitting the low-energy characteristics and phase shifts of np scattering…
We study global features of proton-neutron (p-n) interactions and symmetry energy over a wide range of nuclei, using a schematic model interaction with four forces proposed recently. Calculations are performed by the BCS approximation in…
We consider classical N-particle system with arbitrary central pair potential. Mechanical equilibrium condition in spherically-symmetric case leads to a nonlinear integro-differential equation for concentration n(r). For special state…
I describe the computation of energy widths of nuclear states using an integral over the interaction region of ab initio variational Monte Carlo wave functions, and I present calculated widths for many states. I begin by presenting…
The bound states of $^3$H and $^3$He have been calculated using the Argonne $v_{18}$ plus the Urbana three-nucleon potential. The isospin $T=3/2$ state have been included in the calculations as well as the $n$-$p$ mass difference. The…