Related papers: Non-iterative Triples for Transcorrelated Coupled …
We extend the self-consistent Green's functions formalism to take into account three-body interactions. We analyze the perturbative expansion in terms of Feynman diagrams and define effective one- and two-body interactions, which allows for…
We present the first ab initio coupled-cluster calculations of medium-mass nuclei with explicit chiral three-nucleon (3N) interactions. Using a spherical formulation of coupled cluster with singles and doubles excitations including explicit…
Dynamics of a quantum system can be described by coupled Heisenberg equations. In a generic many-body system these equations form an exponentially large hierarchy that is intractable without approximations. In contrast, in an integrable…
We present excitation energies for molecular doublets from a spin-adapted formulation of coupled cluster singles and doubles theory. The entanglement coupled cluster approach represents an unconventional take on the notorious problem of…
In this paper we present an evolution of our derivation of the shell-model effective Hamiltonian, namely introducing effects of three-body contributions. More precisely, we consider a three-body potential at next-to-next-to-leading order in…
We consider a fully quadratic vibronic model Hamiltonian for studying photoinduced electronic transitions through conical intersections. Using a second order perturbative approximation for diabatic couplings we derive an analytical…
In spite of missing dynamical correlations, the projected generator coordinate method (PGCM) was recently shown to be a suitable method to tackle the low-lying spectroscopy of complex nuclei. Still, describing absolute binding energies and…
A numerically implementable Multi-scale Many-Body approach to strongly correlated electron systems is introduced. An extension to quantum cluster methods, it approximates correlations on any given length-scale commensurate with the strength…
We present the reaction-coordinate polaron-transform (RCPT) framework for generating effective Hamiltonian models to treat nonequilibrium open quantum systems at strong coupling with their surroundings. Our approach, which is based on two…
In this article we study the effects of higher body excitations in the relativistic CC calculations for atoms and ions with one valence electron using Fock-space CCSD, CCSD(T) and its unitary variants. The present study demonstrates that…
We have developed a relativistic coupled-cluster theory to incorporate nuclear spin-dependent interaction Hamiltonians perturbatively. In this theory, the coupled-cluster operators in the electronic sector are defined as tensor operators of…
Dissipation in open systems enriches the possible symmetries of the Hamiltonians beyond the Hermitian framework allowing the possibility of novel non-Hermitian topological phases, which exhibit long-living end states that are protected…
Quantum spin-1/2 antiferromagnetic Heisenberg trimerized chain with strong intradimer and weak monomer-dimer coupling constants is studied using the novel many-body perturbation expansion, which is developed from the exactly solved spin-1/2…
We revisit the approach proposed by Mukamel and coworkers to describe interacting excitons through infinite series of composite-boson operators for both, the system Hamiltonian and the exciton commutator -- which, in this approach, is…
Given a quantum many-body system and the expectation-value dynamics of some operator, we study how this reference dynamics is altered due to a perturbation of the system's Hamiltonian. Based on projection operator techniques, we unveil that…
We lift the constraint of a diagonal representation of the Hamiltonian by searching for square integrable bases that support a tridiagonal matrix representation of the wave operator. Doing so results in exactly solvable problems with a…
The issue of orbital relaxation in computational core-hole spectroscopy, specifically x-ray absorption, has been a major problem for methods such as equation-of-motion coupled cluster with singles and doubles (EOM-CCSD). The…
Electronic structure methods built around double-electron excitations have a rich history in quantum chemistry. However, it seems to be the case that such methods are only suitable in particular situations and are not naturally equipped to…
Quantum computation is one of the most promising new paradigms for the simulation of physical systems composed of electrons and atomic nuclei, with applications in chemistry, solid-state physics, materials science, and molecular biology.…
We have investigated the exceptional points (EPs) which are degeneracies of a non-Hermitian Hamiltonian, in the case that three modes are interacting with each other. Even though the parametric evolution of the modes cannot be uniquely…