Related papers: Ab initio potential energy surfaces for NH-NH with…
We perform Hartree calculations of symmetric and asymmetric semi-infinite nuclear matter in the framework of relativistic models based on effective hadronic field theories as recently proposed in the literature. In addition to the…
A precise calculation of the ground-state energy of the complex PT-symmetric Hamiltonian $H=p^2+{1/4}x^2+i \lambda x^3$, is performed using high-order Rayleigh-Schr\"odinger perturbation theory. The energy spectrum of this Hamiltonian has…
First principles calculations based on density functional theory are having an incerasing impact on our understanding of molecule-surface interactions. For example, calculations of the multi-dimensional potential energy surface have…
We demonstrate that, rather than resorting to high-cost dynamic correlation methods, qualitative failures in excited-state potential energy surface predictions can often be remedied at no additional cost by ensuring that optimal molecular…
We present a simple, yet general, end-to-end deep neural network representation of the potential energy surface for atomic and molecular systems. This methodology, which we call Deep Potential, is "first-principle" based, in the sense that…
Within an effective field theory framework, we obtain an expression, with O(1/m^2) accuracy, for the energies of the gluonic excitations between heavy quarks, which holds beyond perturbation theory. For the singlet heavy quark--antiquark…
We present the results of the computation of the third order corrections to the ground state energy of the diluted polarized gas of nonrelativistic spin $1/2$ fermions interacting through a spin-independent repulsive two-body potential. The…
We calculate the energy of the state closest to threshold for two and three identical, spinless particles confined to a cubic spatial volume with periodic boundary conditions and with zero total momentum in the finite-volume frame. The…
A different formulation of the effective interaction hyperspherical harmonics (EIHH) method, suitable for non-local potentials, is presented. The EIHH method for local interactions is first shortly reviewed to point out the problems of an…
Embedded in the historical context, we review recent progress in the development of nucleon-nucleon (NN) potentials based upon chiral effective field theory. A major breakthrough is the construction of the first NN potential at…
We consider two perturbative schemes to calculate excitation energies, each employing the Kohn-Sham Hamiltonian as the unperturbed system. Using accurate exchange-correlation potentials generated from essentially exact densities and their…
We present an analytic theory of the spin-resolved pair distribution functions $g_{\sigma\sigma'}(r)$ and the ground-state energy of an electron gas with an arbitrary degree of spin polarization. We first use the Hohenberg-Kohn variational…
The interaction potential energy surface (PES) of He-H2 is of great importance for quantum chemistry, as the simplest test case for interactions between a molecule and a closed-shell atom. It is also required for a detailed understanding of…
A model is developed, based on the density functional perturbation theory and the inverse Kohn-Sham method, that can be used to improve relativistic nuclear energy density functionals towards an exact but unknown Kohn-Sham…
The ground state energy and energy gap to the first excited state are calculated for the attractive Hubbard model in one dimension using both the Bethe Ansatz equations and the variational BCS wavefunction. Comparisons are provided as a…
The potential energy curves for molecular ions up to $N_2^{4+}$ are calculated in an ab initio manner using the multi configurational self-consistent field method. Specifically, we implement in an automatic way a previously used double loop…
The equilibrium geometry, harmonic frequency and dissociation energy of lanthanum monochloride have been calculated at B3LYP, MP2, QCISD(T) levels with energy-consistent relativistic effective core potentials. The possible electronic state…
Energies of ns[1/2] (n= 6-9), np[j] (n = 6-8), nd[j] (n= 6-7), and 5f[j] states in neutral Au and Au-like ions with nuclear charges Z = 80 - 83 are calculated using relativistic many-body perturbation theory. Reduced matrix elements,…
Using the Hugenholtz-Van Hove theorem, we derive general expressions for the quadratic and quartic symmetry energies in terms of single-nucleon potentials in isospin asymmetric nuclear matter. These analytical relations are useful for…
Motivated by the recent results in arXiv:1601.05679 about the quark-antiquark potential in $\mathcal N=4$ SYM, we reconsider the problem of computing the asymptotic weak-coupling expansion of the ground state energy of a certain class of 1d…