Related papers: A correctly scaling rigorously spin-adapted and sp…
In electronic structure theory, restricted single-reference coupled cluster (CC) captures weak correlation but fails catastrophically under strong correlation. Spin-projected unrestricted Hartree-Fock (SUHF), on the other hand, misses weak…
We present the positron coupled cluster singles and doubles (POS-CCSD) method to calculate positron binding energies in molecules. This framework treats electrons and positrons on an equal footing and includes up to simultaneous…
Density functional theory (DFT) embedding provides a formally exact framework for interfacing correlated wave-function theory (WFT) methods with lower-level descriptions of electronic structure. Here, we report techniques to improve the…
In this work, building up on [1] we present momentum space Ward identities related to broken higher spin symmetry as an alternate approach to computing correlators of spinning operators in interacting theories such as the quasi-fermionic…
Numerous numerical studies have shown that geminal-based methods are a promising direction to model strongly correlated systems with low computational costs. Several strategies have been introduced to capture the missing dynamical…
We introduce a large class of conformally-covariant differential operators and a crossing equation that they obey. Together, these tools dramatically simplify calculations involving operators with spin in conformal field theories. As an…
A simple ``brute-force'' parallelisation procedure for the computational implementation of high-order coupled cluster method (CCM) calculations is presented here. This approach is investigated and illustrated by an application of high-order…
Exact solutions for spin-orbit (SO) coupled cold atomic systems are very important and rare in physics. In this paper, we propose a simple method of combined modulations to generate the analytic exact solutions for an SO-coupled boson held…
We present an efficient implementation of four-component linear response coupled cluster singles and doubles (4c-LRCCSD) theory that enables accurate and computationally efficient calculation of polarizabilities for systems containing heavy…
Controlling the quantum many-body state of arrays of qudits, possessing a large local Hilbert space, opens the path to a broad range of possibilities for many-particle entanglement, interesting both for fundamental quantum science, as well…
A novel combined unitary and symmetric group approach is used to study the spin-$\frac{1}{2}$ Heisenberg model and related Fermionic systems in a spin-adapted representation, using a linearly-parameterised Ansatz for the many-body wave…
An efficient perturbational treatment of spin-orbit coupling within the framework of high-level multi-reference techniques has been implemented in the most recent version of the COLUMBUS quantum chemistry package, extending the existing…
For molecules and solids, we developed efficient MPI-parallel algorithms for evaluating the second-order exchange term with bare, statically screened, and dynamically screened interactions. We employ the resulting term in a fully…
We present a novel semiclassical framework tailored to determine the scaling dimensions of heavy neutral composite operators in conformal field theories (CFTs) which are inaccessible with other current methodologies. It utilizes the…
This work is a sequel to our work "The Spin Density Matrix I: General Theory and Exact Master Equations" (eprint arXiv:0708.0644 [cond-mat]). Here we compare pure- and pseudo-spin dynamics using as an example a system of two quantum dots, a…
The (T) and [T] perturbative corrections are derived for multicomponent coupled-cluster theory with single and double excitations (CCSD). Benchmarking shows that multicomponent CCSD methods that include the perturbative corrections are more…
We present a practical approach to treat static and dynamical correlation accurately in large multi-configurational systems. The static correlation is accounted for using the spin-flip approach which is well known for capturing static…
Chern-Simons gauge theories coupled to massless fundamental scalars or fermions define interesting non-supersymmetric 3d CFTs that possess approximate higher-spin symmetries at large N. In this paper, we compute the scaling dimensions of…
The accurate and efficient description of strongly correlated systems remains an important challenge for computational methods. Doubly occupied configuration interaction (DOCI), in which all electrons are paired and no correlations which…
We study insertions of composite operators into Wilson loops in N=4 supersymmetric Yang-Mills theory in four dimensions. The loops follow a circular or straight path and the composite insertions transform in the adjoint representation of…