Related papers: Computational Nuclear Physics and Post Hartree-Foc…
We study the equation of state of neutron matter at finite temperature based on two- and three-nucleon interactions derived within chiral effective field theory to next-to-next-to-next-to-leading order. The free energy, pressure, entropy,…
The fact that we can build models from data, and therefore refine our models with more data from experiments, is usually given for granted in scientific inquiry. However, how much information can we extract, and how precise can we expect…
We present a novel quantum Monte Carlo method based on a path integral in Fock space, which allows to compute finite-temperature properties of a many-body nuclear system with a monopole pairing interaction in the canonical ensemble. It…
The computational cost required to calculate nuclear correlation functions grows factorially in the number of quarks, making the study of large nuclei inaccessible to ab initio study using lattice QCD at the present time. However, the…
Density matrix perturbation theory [Niklasson and Challacombe, Phys. Rev. Lett. 92, 193001 (2004)] is generalized to canonical (NVT) free energy ensembles in tight-binding, Hartree-Fock or Kohn-Sham density functional theory. The canonical…
Neutron matter is interesting both as an extension of terrestrial nuclear physics and due to its significance for the study of neutron stars. In this work, after some introductory comments on nuclear forces, nuclear ab initio theory, and…
A framework for developing new approximate electronic structure methods is presented, in which the correlation energy of a many-electron system in the ground state is computed as in the single-reference second-order many-body perturbation…
We present unrestricted Hartree Fock method coupled with configuration interaction (CI) method (URHF-CI) suitable for the calculation of ground and excited states of large number of electrons localized by complex gate potentials in…
We study the symmetry energy in infinite nuclear matter employing a non-relativistic Brueckner-Hartree-Fock approach and using various new nucleon-nucleon (NN) potentials, which fit np and pp scattering data very accurately. The potential…
This work completes the construction of purely algebraic version of the theory of non-linear quantum chemistry methods. It is shown that at the heart of these methods there lie certain algebras close in their definition to the well-known…
We present calculations of the energy per particle of pure neutron and symmetric nuclear matter with simplified Argonne nucleon-nucleon potentials for different many-body theories. We compare critically the Brueckner-Hartree-Fock results to…
Here, we review the progress in our understanding of the structure, and electronic spectra of InAs, GaAs, InSb and CdSe clusters. First principles approaches based on Hartree-Fock and Density Functional Theory have become central to such…
We introduce a new framework for the low-energy nuclear structure calculations, which describes the single-particle wave function as a superposition of localized Gaussians. It is a hybrid of the Hartree-Fock and antisymmetrized molecular…
Understanding nuclear forces, infinite nuclear matter, and finite nuclei within a unified framework has remained a central challenge in nuclear physics for decades. While most \textit{ab initio} studies employ nonrelativistic…
By introducing a density-dependent contact term, M3Y-type interactions applicable to the Hartree-Fock calculations are developed. In order to view basic characters of the interactions, we carry out calculations on the uniform nuclear matter…
In this tutorial-style review we discuss basic concepts of coupled cluster theory and recent developments that increase its computational efficiency for calculations of molecules, solids and materials in general. We will touch upon the…
This PhD thesis explores the potential of quantum computing to address computational challenges in high-energy physics (HEP). As the Standard Model (SM) leaves key questions unanswered and no signs of new physics have emerged since the…
Hartree--Fock theory is one of the most ancient methods of computational chemistry, but up to the present day quantum chemical calculations on Hartree--Fock level or with hybrid density functional theory can be excessively time consuming.…
The localized Hartree-Fock potential has proven to be a computationally efficient alternative to the optimized effective potential, preserving the numerical accuracy of the latter and respecting the exact properties of being…
We investigate the existence of holomorphic Hartree-Fock solutions using a revised SCF algorithm. We use this algorithm to study the Hartree-Fock solutions for H$_{2}$ and H$_{4}^{2+}$ and report the emergence of holomorphic solutions at…