Related papers: A correctly scaling rigorously spin-adapted and sp…
In truncated coupled-cluster (CC) theories, non-variational and/or generally complex ground-state energies can occur. This is due to the non-Hermitian nature of the similarity transformed Hamiltonian matrix in combination with CC…
We study models that give rise to scalar-tensor effective field theories (EFTs) at low energies. Our framework involves massive particles of spin $S=0, 1/2, 1$ coupled to gravity and to a real massless scalar in the UV. Integrating out the…
Mesoscopic superpositions of distinguishable coherent states provide an analog to the Schr\"odinger's cat thought experiment. For mechanical oscillators these have primarily been realised using coherent wavepackets, for which the…
Standard spin-density functionals for the exchange-correlation energy of a many-electron ground state make serious self-interaction errors which can be corrected by the Perdew-Zunger self-interaction correction (SIC). We propose a…
An extensive analysis has been carried out of the performance of standard families of basis sets with the hierarchy of coupled cluster methods CC2, CCSD, CC3 and CCSDT in computing selected Oxygen, Carbon and Nitrogen K-edge (vertical) core…
When the number of strongly correlated electrons becomes larger, the single-reference coupled-cluster (CC) CCSD, CCSDT, etc. hierarchy displays an erratic behavior, while traditional multi-reference approaches may no longer be applicable…
An implementation of coupled-cluster (CC) theory to treat atoms and molecules in finite magnetic fields is presented. The main challenges stem from the magnetic-field dependence in the Hamiltonian, or, more precisely, the appearance of the…
We derive a compact analytic formula for a complete basis of conformally invariant tensor structures for three-point functions of conserved operators in arbitrary 4D Lorentz representations. The construction follows directly from a novel…
Ab initio many-body methods address closed-shell nuclei up to mass A ~ 130 on the basis of realistic two- and three-nucleon interactions. Several routes to address open-shell nuclei are currently under investigation, including ideas which…
The cluster state quantum computation is a versatile approach to build a scalable quantum computer. In this thesis we theoretically demonstrate that a one dimensional array of double quantum dots with long spin relaxation time can evolve to…
The 2-D electron system (2DES) in Si metal-oxide field-effect transistors (MOSFETS) consists of two distinct electron fluids interacting with each other. We calculate the total energy as a function of the density $n$, and the spin…
We present the theoretical framework, implementation, and benchmark results for a reduced-cost relativistic equation-of-motion coupled cluster singles and doubles (EOM-CCSD) method based on state-specific frozen natural spinors (SS-FNS). In…
While configuration interaction singles (CIS) provides a computationally efficient description of excited states, it systematically overestimates excitation energies and performs poorly for strongly correlated systems, partly due to the…
The extension of least-squares tensor hypercontracted second- and third-order M{\o}ller-Plessett perturbation theory (LS-THC-MP2 and LS-THC-MP3) to open-shell systems is an important development due to the scaling reduction afforded by THC…
We study the spin dynamics in underdoped cuprates at low temperatures by considering them as quasi two dimensional d-wave superconductors (dSC) with strong phase fluctuations. An effective theory of spin degrees of freedom of nodal…
Long-standing challenges in cluster expansion (CE) construction include choosing how to truncate the expansion and which crystal structures to use for training. Compressive sensing (CS), which is emerging as a powerful tool for model…
We derive an effective Hamiltonian which describes the dynamics of electrons in the conduction band of transition metal dichalcogenides (TMDC) in the presence of perpendicular electric and magnetic fields. We discuss in detail both the…
The scaling dimension of the first excited state in two-dimensional conformal field theories (CFTs) satisfies a universal upper bound. Using the modular bootstrap, we extend this result to CFTs with $W_3$ algebras which are generically dual…
We compute the canonical partition function Z of non-interacting conformal higher spin (CHS) theory viewed as a collection of free spin s CFT's in R^d. We discuss in detail the 4-dimensional case (where s=1 is the standard Maxwell vector,…
A size-extensive, converging, black-box, ab initio coupled-cluster ($\Delta$CC) ansatz is introduced that computes the energies and wave functions of stationary states from any degenerate or nondegenerate Slater-determinant references with…