Related papers: Concise configuration interaction expansions for t…
We supplement the determinantal and Pfaffian bounds of Sims and Warzel (Commun Math Phys 347:903--931, 2016) for many-body localization of quasi-free fermions, by considering the high dimensional case and complex-time correlations. Our…
The cost of simulating quantum many-body systems - on classical or quantum hardware - scales with the number of variational parameters, so progress at fixed computational budget hinges on more parameter-efficient ans\"atze. Configuration…
The spatial structure of a two-dimensional homogeneous mixture of fermionic atoms in two hyperfine states is analyzed throughout the BEC-BCS crossover. Within the BCS-Leggett mean-field model we consider three functions: the pair wave…
We investigate configuration-interaction (CI) calculations on a basis of molecular orbitals generated by preliminary density-functional theory (DFT) calculations. We use this CI/DFT framework to improve the modeling of core-excited states…
The Configuration Interaction (CI) method is applied to the calculation of the structures of a number of positron binding systems, including e+Be, e+Mg, e+Ca and e+Sr. These calculations were carried out in orbital spaces containing about…
Incorporating self-interaction corrections (SIC) significantly improves chemical reaction barrier height predictions made using density functional theory methods. We present a detailed, orbital-by-orbital analysis of these corrections for…
Ultracold Fermi gases of spin-3/2 atoms provide a clean platform to realise SO(5) models of 4-Fermi interactions in the laboratory. By confining the atoms in a two-dimensional Raman lattice, we show how this system can be used as a flexible…
We present ground state calculations for low-density Fermi gases described by two model interactions, an attractive square-well potential and a Lennard-Jones potential, of varying strength. We use the optimized Fermi-Hypernetted Chain…
Understanding the behavior of interacting fermions is of fundamental interest in many fields ranging from condensed matter to high energy physics. Developing numerically efficient and accurate simulation methods is an indispensable part of…
The basic question is addressed, how the space dimension $d$ is encoded in the Hilbert space of $N$ identical fermions. There appears a finite number $N!^{d-1}$ of many-body wave functions, called shapes, which cannot be generated by…
We find that multidimensional determinants "hyperdeterminants", related to entanglement measures (the so-called concurrence or 3-tangle for the 2 or 3 qubits, respectively), are derived from a duality between entangled states and separable…
Recent experiments on semiconductor quantum dots have demonstrated the ability to utilize a large quantum dot to mediate superexchange interactions and generate entanglement between distant spins. This opens up a possible mechanism for…
The electromagnetic form factors of the three-nucleon bound states were calculated in Complete Impulse Approximation in the framework of the Covariant Spectator Theory for the new high-precision two-nucleon interaction models WJC-1 and…
The Tavis-Cummings model for more than one qubit interacting with a common oscillator mode is extended beyond the rotating wave approximation (RWA). We explore the parameter regime in which the frequencies of the qubits are much smaller…
The Coupled Cluster (CC) and full CI expansions are studied for three fermions with six and seven modes. Surprisingly the CC expansion is tailor made to characterize the usual SLOCC entanglement classes. It means that the notion of a SLOCC…
We present a systematic derivation of a minimal five-band tight-binding model for the description of the electronic structure of the recently discovered quasi one-dimensional superconductor K2Cr3As3. Taking as a reference the…
The choice of molecular orbitals is decisive in configuration interaction calculations. In this letter, a democratic description of the ground and excited states follows an orthogonally constrained orbitals optimization to produce…
Using {\it ab initio} approaches for extended Hubbard interactions coupled to phonons, we reveal that the intersite Coulomb interaction plays important roles in determining various distinctive phases of the paradigmatic charge ordered…
We analyse some features of the class of discrete Wigner functions that was recently introduced by Gibbons et al. to represent quantum states of systems with power-of-prime dimensional Hilbert spaces [Phys. Rev. A 70, 062101 (2004)]. We…
Correlations between electrons and the effective dimensionality are crucial factors that shape the properties of an interacting electron system. For example, the onsite Coulomb repulsion, U, may inhibit, or completely block the intersite…