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We present a density matrix approach for computing global solutions of Hartree-Fock theory, based on semidefinite programming (SDP), that gives upper and lower bounds on the Hartree-Fock energy of quantum systems. Equality of the upper- and…

Chemical Physics · Physics 2014-02-11 Srikant Veeraraghavan , David A. Mazziotti

The first practical method to evolve many-body nuclear forces to softened form using the Similarity Renormalization Group (SRG) in a harmonic oscillator basis is demonstrated. When applied to He4 calculations, the two- and three-body…

Nuclear Theory · Physics 2009-09-02 E. D. Jurgenson , P. Navratil , R. J. Furnstahl

Ground state properties of finite nuclei ($^{16}$O and $^{40}$Ca) are evaluated from realistic nucleon-nucleon interactions. The calculations are based on the Brueckner-Hartree-Fock approximation. Special attention is paid to the role of…

Nuclear Theory · Physics 2011-07-19 Kh. Gad , H. Müther

The symmetric nuclear matter and pure neutron matter are investigated by the relativistic Brueckner-Hartree-Fock (RBHF) theory with the covariant chiral nuclear forces up to the next-to-leading order~(NLO). A fitting scheme to ensure the…

Nuclear Theory · Physics 2025-06-24 Wei-Jiang Zou , Yi-Long Yang , Jun-Xu Lu , Peng-Wei Zhao , Li-Sheng Geng , Jie Meng

We investigate the influence of phenomenological three-nucleon interactions on the systematics of ground-state energies and charge radii throughout the whole nuclear mass range from 4-He to 208-Pb. The three-nucleon interactions supplement…

Nuclear Theory · Physics 2014-11-21 A. Günther , R. Roth , H. Hergert , S. Reinhardt

Projected Hartree-Fock theory (PHF) has a long history in quantum chemistry. PHF is here understood as the variational determination of an N-electron broken symmetry Slater determinant that minimizes the energy of a projected state with the…

Strongly Correlated Electrons · Physics 2013-06-28 Carlos A. Jimenez-Hoyos , Thomas M. Henderson , Takashi Tsuchimochi , Gustavo E. Scuseria

We review a new generation of nuclear forces derived in chiral effective field theory using the recently proposed semilocal regularization method. We outline the conceptual foundations of nuclear chiral effective field theory, discuss all…

Nuclear Theory · Physics 2019-11-28 E. Epelbaum , H. Krebs , P. Reinert

An improved prescription for choosing a transformed harmonic oscillator (THO) basis for use in configuration-space Hartree-Fock-Bogoliubov (HFB) calculations is presented. The new HFB+THO framework that follows accurately reproduces the…

Nuclear Theory · Physics 2011-05-12 M. V. Stoitsov , J. Dobaczewski , W. Nazarewicz , S. Pittel , D. J. Dean

On the way of a microscopic derivation of covariant density functionals, the first complete solution of the relativistic Brueckner-Hartree-Fock (RBHF) equations is presented for symmetric nuclear matter. In most of the earlier…

Nuclear Theory · Physics 2021-09-22 Peter Ring , Sibo Wang , Qiang Zhao , Jie Meng

In this article, we demonstrate the restricted Hartree-Fock electronic structure computation of the molecule $H_3^+$ through computational algebra. We approximate the Hartree-Fock total energy by a polynomial composed of LCAO coefficients…

Computational Physics · Physics 2024-05-15 Ichio Kikuchi , Akihito Kikuchi

Time-dependent Hartree-Fock theory is used to describe density oscillations of symmetry-unrestricted two-dimensional nanostructures. In the small amplitude limit the results reproduce those obtained within a perturbative approach such as…

Mesoscale and Nanoscale Physics · Physics 2009-11-07 Antonio Puente , Llorenç Serra , Vidar Gudmundsson

The scope of the paper is to apply a state-of-the-art beyond mean-field model to the description of the Gamow-Teller response in atomic nuclei. This topic recently attracted considerable renewed interest, due, in particular, to the…

Nuclear Theory · Physics 2015-02-18 Yifei Niu , Gianluca Colo , Enrico Vigezzi

In this letter the conceptual and computational implications of the Hartree product type nuclear wavefunction introduced recently within the context of the ab initio non-Born-Oppenheimer Nuclear-electronic orbital (NEO) methodology are…

Chemical Physics · Physics 2016-10-31 Masumeh Gharabaghi , Shant Shahbazian

Spin-projected Hartree-Fock is introduced as a particle-hole excitation ansatz over a symmetry-adapted reference determinant. Remarkably, this expansion has an analytic expression that we were able to decipher. While the form of the…

Strongly Correlated Electrons · Physics 2016-11-08 Yiheng Qiu , Thomas M. Henderson , Gustavo E. Scuseria

Two different approximation schemes for the self-consistent solution of the relativistic Brueckner-Hartree-Fock equation for finite nuclei are discussed using realistic One-Boson-Exchange potentials. In a first scheme, the effects of…

Nuclear Theory · Physics 2009-10-22 R. Fritz , H. Müther

A canonical-basis formulation of the time-dependent Hartree-Fock-Bogoliubov (TDHFB) theory is obtained with an approximation that the pair potential is assumed to be diagonal in the time-dependent canonical basis. The canonical-basis…

Nuclear Theory · Physics 2011-09-30 Shuichiro Ebata , Takashi Nakatsukasa , Kazuhiro Yabana

The interpretation of future precise experiments on atomic parity violation in terms of parameters of the Standard Model could be hampered by uncertainties in the atomic and nuclear structure. While the former can be overcome by measurement…

Nuclear Theory · Physics 2008-11-26 B. Q. Chen , P. Vogel

We present a time-dependent localized Hartree-Fock density-functional linear response approach for the treatment of photoionization of atomic systems. This approach employs a spin-dependent localized Hartree-Fock (SLHF) exchange potential…

Quantum Physics · Physics 2015-05-13 Zhongyuan Zhou , Shih-I Chu

We benchmark three standard approximations for the many-body problem -- the Hartree-Fock, projected Hartree-Fock, and random phase approximations -- against full numerical configuration-interaction calculations of the electronic structure…

Atomic Physics · Physics 2012-08-31 Micah D. Schuster , Calvin W. Johnson , Joshua T. Staker

The study of CNO cycle involves the examination of the proton radiative capture, or the $(p,\gamma)$ reactions below 2 MeV. The astrophysical $\mathcal{S}$ factor characterizing the $(p,\gamma)$ reaction is usually reduced to the electric…

Nuclear Theory · Physics 2021-03-31 Le-Anh Nguyen , Minh-Loc Bui