Related papers: Comparison of three different self-interaction cor…
We introduce single and double particle-hole excitations in the recently revived spin-projected Hartree-Fock. Our motivation is to treat static correlation with spin-projection and recover the residual correlation, mostly dynamic in nature,…
The ILD, International Large Detector, is one of the detector concepts for a future linear collider. Its performance is investigated using Monte-Carlo full simulation and PandoraPFA. Among several options, a combination of the…
We introduce $\Sigma$-Attention, a Transformer-based operator-learning framework to address a key computational challenge in correlated materials. Our approach utilizes an Encoder-Only Transformer as an ansatz to approximate the self-energy…
XYG3-type doubly hybrid approximations (xDH) have gained a widespread recognition for their accuracy in describing a diverse range of chemical and physical interactions. However, a recent study (J. Phys. Chem. 2021, 12, 800-807) has…
Variational calculations for s-shell hypernuclei are performed by explicitly including $\Sigma$ degrees of freedom. Four sets of YN interactions (SC97d(S), SC97e(S), SC97f(S) and SC89(S)) are used. The bound-state solution of $_\Lambda^5$He…
We give a thorough analysis of the convergence properties of the configuration-interaction method as applied to parabolic quantum dots among other systems, including \emph{a priori} error estimates. The method converges slowly in general,…
Cold-atom experiments based on alkali-like atoms provide us with a tool to experimentally realize Hubbard models with a large number $N$ of components. The value of $N$ can be seen as a new handle to tune the properties of the system,…
Wireless systems with inband full-duplex transceiver typically require multiple lines of defense against the effect of harsh self-interference, specifically, to avoid saturation of the analog-to-digital converter (ADC) in the receiver. We…
Supplementing the Liquid Drop Model (LDM) Hamiltonian, written in the intrinsic reference frame, with a sextic oscillator plus a centrifugal term in the variable $\beta$ and a potential in $\gamma$ with a minimum in $\frac{\pi}{6}$, the…
Although selected configuration interaction (SCI) algorithms can tackle much larger Hilbert spaces than the conventional full CI (FCI) method, the scaling of their computational cost with respect to the system size remains inherently…
The configuration interaction (CI) is a versatile wavefunction theory for interacting fermions but it involves an extremely long CI series. Using a symmetric tensor decomposition (STD) method, we convert the CI series into a compact and…
Integral equation theory of molecular liquids based on statistical mechanics is quite promising as an essential part of multiscale methodology for chemical and biomolecular nanosystems in solution. Beginning with a molecular interaction…
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…
We apply the methodology of our recent paper 'The Dynamics of the Hubbard Model through Stochastic Calculus and Girsanov Transformation' [1] to thermodynamic correlation functions in the Fermi-Hubbard model. They can be obtained from a…
In this work, we investigate an exactly solvable two-leg spin ladder with three-spin interactions. We obtain analytically the finite-size corrections of the low-lying energies and determine the central charge as well as the scaling…
The semistochastic heat-bath configuration interaction (SHCI) method is a selected configuration interaction plus perturbation theory method that has provided near-full configuration interaction (FCI) levels of accuracy for many systems…
We consider quantum systems consisting of a linear chain of n harmonic oscillators coupled by a nearest neighbour interaction of the form $-q_r q_{r+1}$ ($q_r$ refers to the position of the $r$th oscillator). In principle, such systems are…
One of the most remarkable observations in heavy-ion collisions is the systematic regularity exhibited by pseudorapidity distributions of charged particles across collision energies. While single-source models fail at higher energies and…
The cluster-in-molecule (CIM) local correlation approach with an accurate distant pair correlation energy correction is presented. For large systems, the inclusion of distant pair correlation energies is essential for the accurate…
The combinatorial scaling of configuration interaction (CI) has long restricted its applicability to only the simplest molecular systems. Here, we report the first numerically exact CI calculation exceeding one quadrillion ($10^{15}$)…