Related papers: Natural Orbital Non-Orthogonal Configuration Inter…
Quantum-selected configuration interaction (QSCI) utilizes an input quantum state on a quantum device to select important bases (electron configurations in quantum chemistry) that define a subspace in which to diagonalize a target…
Adapting a veritable many-body method to a system of non-interacting particles (NIP), while being trivial from a physical point of view, can be of interest with regard to methodological aspects. In this article we study the NIP versions of…
The present contribution proposes a general framework for the energy efficiency analysis of a hybrid visible light communication (VLC) and Radio Frequency (RF) wireless system, in which both VLC and RF subsystems utilize nonorthogonal…
Reciprocal spin-orbit coupling (SOC) via geometric phase with flat optics provides a promising platform for shaping and controlling paraxial structured light. Current devices, from the pioneering q-plates to the recent J-plates, provide…
Selected configuration interaction (SCI) methods are currently enjoying a resurgence due to several recent developments which improve either the overall computational efficiency or the compactness of the resulting SCI vector. These recent…
We outline a generic, flexible, modular, yet efficient framework to the computation of energies and states for general nanoscopic systems with a focus on semiconductor quantum dots. The approach utilizes the configuration interaction…
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…
We propose a novel partitioning of the Hilbert space, hierarchy configuration interaction (hCI), where the excitation degree (with respect to a given reference determinant) and the seniority number (i.e., the number of unpaired electrons)…
In this communication, we examine new formalisms for the construction of the external space when correlating reference wavefunctions built from nonorthogonal determinant expansions. Defining the external space in nonorthogonal approaches is…
The current work presents a natural orbital functional (NOF) for electronic systems with any spin value independent of the external potential being considered, that is, a global NOF (GNOF). It is based on a new two-index reconstruction of…
We develop several configuration interaction approaches for characterizing the electronic structure of an adsorbate on a metal surface (at least in model form). When one can separate adsorbate from substrate, these methods can achieve a…
Conical intersections (CI) between molecular potential energy surfaces with non-vanishing non-adiabatic couplings generally occur in any molecule consisting of at least three atoms. They play a fundamental role in describing the molecular…
Conversational information seeking (CIS) is concerned with a sequence of interactions between one or more users and an information system. Interactions in CIS are primarily based on natural language dialogue, while they may include other…
We formulate a one-center non-orthogonal configuration interaction singles (1C-NOCIS) theory for the computation of core excited states of an initial singlet state with two unpaired electrons. This model, which we refer to as 1C-NOCIS…
This paper presents a novel contact-implicit trajectory optimization method using an analytically solvable contact model to enable planning of interactions with hard, soft, and slippery environments. Specifically, we propose a novel contact…
The computation of the ground states of special multi-component Bose-Einstein condensates (BECs) can be formulated as an energy functional minimization problem with spherical constraints. It leads to a nonconvex quartic-quadratic…
Management of communication by on-line routing in new FPGAs with a large amount of logic resources and partial reconfigurability is a new challenging problem. A Network-on-Chip (NoC) typically uses packet routing mechanism, which has often…
An approach which allows to include the corrections from non-orthogonality of electron states in contacts and quantum dots is developed. Comparison of the energy levels and charge distributions of electrons in 1D quantum dot (QD) in…
A reconfigurable intelligent surface (RIS) enhanced non-orthogonal multiple access assisted backscatter communication (RIS-NOMABC) system is considered. A joint optimization problem over power reflection coefficients and phase shifts is…
Brain-Computer Interface (BCI) technology facilitates direct communication between the human brain and external devices, representing a substantial advancement in human-machine interaction. This review provides an in-depth analysis of…