Related papers: Factorized Quadruples and a Predictor of Higher-Le…
Introducing an active space approximation is inevitable for the quantum computations of chemical systems. However, this approximation ignores the electron correlations related to non-active orbitals. Here, we propose a computational method…
Whether for fundamental studies or nuclear data evaluations, first-principle calculations of atomic nuclei constitute the path forward. Today, performing \textit{ab initio} calculations (a) of heavy nuclei, (b) of doubly open-shell nuclei…
This study implements the full multicomponent third-order (MP3) and fourth-order (MP4) many-body perturbation theory methods for the first time. Previous multicomponent studies have only implemented a subset of the full contributions and…
This work introduces various approaches to include connected three-body terms in unitary many-body theories, focusing a representative example on the driven similarity renormalization group (DSRG). Starting from the least approximate method…
Recent developments of perturbation theory at finite temperature based on effective field theory methods are reviewed. These methods allow the contributions from the different scales to be separated and the perturbative series to be…
For noncovalent interactions, it is generally assumed that CCSD(T) is nearly the exact solution within the 1-particle basis set. For the S66 noncovalent interactions benchmark, we present for the majority of species CCSDT and CCSDT(Q)…
We introduce a novel algorithm that leverages stochastic sampling techniques to compute the perturbative triples correction in the coupled-cluster (CC) framework. By combining elements of randomness and determinism, our algorithm achieves a…
Ab initio methods based on the second-order and higher connected moments, or cumulants, of a reference function have seen limited use in the determination of correlation energies of chemical systems throughout the years. Moment-based…
We review the extension of the factorization formalism of perturbative QCD to {\it coherent} soft rescattering associated with hard scattering in high energy nuclear collisions. We emphasize the ability to quantify high order corrections…
In this work, we investigate the possibility of improving multireference-driven coupled cluster (CC) approaches with an algorithm that iteratively combines complete active space (CAS) calculations with tailored CC and externally corrected…
In this doctoral thesis we present the exact large $N_f$ calculation at next-to-leading order of the thermal interaction pressure of deconfined QCD for small and large quark chemical potential where the presence of the Landau pole is…
We develop a cubic scaling approach to excited-state-specific second order perturbation theory in which the completeness of a local correlation treatment is carefully matched between the ground and excited state. With this matching, the…
Quantum periodic cluster methods for strongly correlated electron systems are reformulated and developed. The reformulation and development are based on a canonical transformation which periodizes the fermions in the cluster space. The…
Two new schemes for computing molecular total atomization energies (TAEs) and/or heats of formation ($\Delta H^\circ_f$) of first-and second-row compounds to very high accuracy are presented. The more affordable scheme, W1 (Weizmann-1)…
We introduce a straightforward Gaussian process regression (GPR) model for the transition structure factor of metal periodic coupled cluster singles and doubles (CCSD) calculations. This is inspired by the method introduced by Liao and…
In this work we describe the rank-reduced variant of the equation-of-motion coupled cluster theory with complete inclusion of single, double, and triple excitations. The advantage of the proposed formalism in comparison with the canonical…
The theory for condensation of higher fermionic clusters is developed. Fully selfconsistent nonlinear equations for the quartet order parameter in strongly coupled fermionic systems are established and solved. The breakdown of the…
The free energy for QCD at high temperature $T$ is calculated to order $g^5$ using effective-field-theory methods to separate the contributions from the momentum scales $T$ and $gT$. The effects of the scale $T$ enter through the…
In this talk, we present the QCD factorization formula for heavy quarkonium production at large $p_T$ with factorized leading-power and next-to-leading power contributions in the $1/p_T$ expansion. We show that the leading order analytical…
The aim of this work is to develop the relevant formalism for performing coupled-cluster (CC) calculations in nuclear matter and neutron star matter, including thereby important correlations to infinite order in the interaction and testing…