Related papers: Spin-adapted selected configuration interaction in…
Spin-wave-based physical reservoir computing (RC) is a promising candidate for energy-efficient physical implementations of artificial intelligence because of its potential for nanoscale integration with low power consumption. Most of the…
A new computational framework for spinor-based relativistic exact two-component (X2C) calculations is developed using contracted basis sets with a spin-orbit contraction scheme. Generally contracted j-adapted basis sets using primitive…
Objective. Research on brain-computer interfaces (BCIs) is advancing towards rehabilitating severely disabled patients in the real world. Two key factors for successful decoding of user intentions are the size of implanted microelectrode…
As an approximation to SDSCI [static-dynamic-static (SDS) configuration interaction (CI), a minimal MRCI; Theor. Chem. Acc. 133, 1481 (2014)], SDSPT2 [Mol. Phys. 115, 2696 (2017)] is a CI-like multireference (MR) second-order perturbation…
The application of quantum algorithms to the study of many-particle quantum systems requires the ability to prepare wavefunctions that are relevant in the behavior of the system under study. Hamiltonian symmetries are an important…
We present a protocol for designing appropriately extended $\pi$ pulses that achieves tunable, thus selective, electron-nuclear spin interactions with low-driving radiation power. Our method is general since it can be applied to different…
In systems undergoing localization-delocalization quantum phase transitions due to disorder or monitoring, there is a crucial need for robust methods capable of distinguishing phases and uncovering their intrinsic properties. In this work,…
Quantum chemistry provides a target for quantum simulation of considerable scientific interest and industrial importance. The majority of algorithms to date have been based on a second-quantized representation of the electronic structure…
Using the complete orthonormal sets of radial parts of nonrelativitistic exponential type orbitals (2,1, 0, 1, 2, ...) and spinor type tensor spherical harmonics of rank s the new formulae for the 2(2s+1)-component relativistic spinors…
We establish a toolbox for studying and applying spin-adapted generalized Pauli constraints (GPCs) in few-electron quantum systems. By exploiting the spin symmetry of realistic $N$-electron wave functions, the underlying one-body pure…
The full design of relevant systems for quantum applications, ranging from quantum simulation to sensing, is presented using a combination of atomistic methods. A prototypical system features a two-dimensional ordered distribution of spins…
The spin-wave dynamics of the ferromagnetic nanoarrays termed artificial spin ice (ASI) are known to vary depending on their magnetic microstate. However, little work has been done to characterise this relationship. Recent advances in…
We extend the recently proposed heat-bath configuration interaction (HCI) method [Holmes, Tubman, Umrigar, J. Chem. Theory Comput. 12, 3674 (2016)], by introducing a semistochastic algorithm for performing multireference Epstein-Nesbet…
To bring Spin Wave (SW) based computing paradigm into practice and develop ultra low power Magnonic circuits and computation platforms, one needs basic logic gates that operate and can be cascaded within the SW domain without requiring back…
In many cases, the relativistic spin-orbit (SO) interaction is regarded to be small and can be treated using perturbation theory. The major obstacle on this route comes from the fact that the SO interaction can also polarize the electron…
Trapped atomic ion qubits or effective spins are a powerful quantum platform for quantum computation and simulation, featuring densely connected and efficiently programmable interactions between the spins. While native interactions between…
We propose a novel type of a spin wave computing device, based on a bilayer structure which includes a bias layer, made from a hard magnetic material and a propagation layer, made from a magnetic material with low damping, for example,…
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…
Hierarchy configuration interaction (hCI) has been recently introduced as an alternative configuration interaction (CI) route combining excitation degree and seniority number, which showed to efficiently recover both dynamic and static…
A model-independent approach capable of extracting spin-wave frequencies and displacement vectors from ensembles of supercell spin configurations is presented. The method is appropriate for those systems whose spin-dynamical motion is well…