Related papers: A General Approach for Multireference Ground and E…
Multicomponent methods seek to treat select nuclei, typically protons, fully quantum mechanically and equivalent to the electrons of a chemical system. In such methods, it is well known that due to the neglect of electron-proton…
Accurate solution of the many-electron problem including correlations remains intractable except for few-electron systems. Describing interacting electrons as a superposition of independent electron configurations results in an apparent…
We discuss the approximate inclusion of three-nucleon interactions into ab initio nuclear structure calculations using a multi-reference formulation of normal ordering and Wick's theorem. Following the successful application of…
In this paper we present a computational procedure that utilizes real-space grids to obtain high precision approximations of electrostatically confined few-electron states such as those that arise in gated semiconductor quantum dots. We use…
Within the self-consistent Hartree-Fock approximation, an explicit expression for the ground state energy of inhomogeneous Bose gas is derived as a functional of the inhomogeneous density of the Bose-Einstein condensate. The results…
The HFB3 program solves the axial nuclear Hartree-Fock-Bogoliubov (HFB) equations using bases formed by either one or two sets of deformed Harmonic Oscillator (HO) solutions with D1-type and D2-type Gogny effective nucleon-nucleon…
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…
Due to the infinite summation of bubble diagrams, the $GW$ approximation of Green's function perturbation theory has proven particularly effective in the weak correlation regime, where this family of Feynman diagrams is important. However,…
The work presents a simple formalism which proposes an estimate of the ground state energy from a single reference function. It is based on a perturbative expansion but leads to non linear coupled equations. It can be viewed as well as a…
Quantum computers hold promise to circumvent the limitations of conventional computing for difficult molecular problems. However, the accumulation of quantum logic errors on real devices represents a major challenge, particularly in the…
Many problems in physical chemistry involve systems that are coupled to an environment, such as a molecule interacting with an adjacent surface, possibly resulting in meta-stable molecular states where electron density is transferred to the…
Highly excited vibrational states of an isolated molecule encode the vibrational energy flow pathways in the molecule. Recent studies have had spectacular success in understanding the nature of the excited states mainly due to the extensive…
The congruent transformation of the electronic Hamiltonian is developed to address the electron correlation problem in many-electron systems. The central strategy presented in this method is to perform transformation on the electronic…
The Hartree-Fock based diagonalization is a computational method for the investigation of the low-energy properties of correlated electrons in disordered solids. The method is related to the quantum-chemical configuration interaction…
In this work, we apply black box methods (methods not requiring input) to find excited-state energies. A variety of such methods for lattice QCD were introduced at the 3rd iteration of the numerical workshop series. We first review a…
On the grounds of a Feynman-Kac--type formula for Hamiltonian lattice systems we derive analytical expressions for the matrix elements of the evolution operator. These expressions are valid at long times when a central limit theorem…
Recent results in computing excited-state energies and meson-meson scattering phase shifts in lattice QCD are presented. A stochastic method of treating the low-lying modes of quark propagation that exploits Laplacian Heaviside quark-field…
The Double-Correlated phase in HTSC, and its treatment by field perturbation theory, is established. In particular, we define the ground state, the quasi-particle excitations, and construct an appropriate field. We also derive the…
In this communication, we examine new formalisms for the construction of the external space when correlating reference wavefunctions built from nonorthogonal determinant expansions. Defining the external space in nonorthogonal approaches is…
Ground state Hartree-Fock-Bogoliubov (HFB) theory is applied to imbalanced spin-1/2 one-dimensional Fermi systems that are spatially confined by either a harmonic or a hard-wall trapping potential. It has been hoped that such systems, which…