Related papers: Electronic Correlations in Multielectron Silicon Q…
Electronic states in silicon quantum dots are examined theoretically, taking into account a multivalley structure of the conduction band. We find that (i) exchange interaction hardly works between electrons in different valleys. In…
This paper presents the first implementation of a coupling between advanced wave function theories and molecular density functional theory (MDFT). This method enables the modeling of solvent effect into quantum mechanical (QM) calculations…
A linearly coupled chain of spin-polarized quantum dots is investigated under the condition that the number of electrons is equal to or less than the number of the dots. The chemical potential of the system, $\mu_{N}=E(N)-E(N-1)$,…
Silicon is a leading qubit platform thanks to the exceptional coherence times that can be achieved and to the available commercial manufacturing platform for integration. Building scalable quantum processing architectures relies on accurate…
We derive and implement symmetry-projected Hartree-Fock-Bogoliubov (HFB) equations and apply them to the molecular electronic structure problem. All symmetries (particle number, spin, spatial, and complex conjugation) are deliberately…
The author analyzes quantum computation with the hybrid qubit (HQ) that is encoded using the three-electron configuration of a double quantum dot. All gate operations are controlled with electric signals, while the qubit remains at an…
Atomic properties such as field shift constants, magnetic dipole and electric quadrupole hyperfine structure constants, Land\'e $g_J$ factors, and electric quadrupole moments that are described by electronic operators with different ranks…
Excitations of impurity complexes in semiconductors can not only provide a route to fill the terahertz gap in optical technologies, but can also connect local quantum bits to scale up solid-state quantum-computing devices. However, taking…
Quantum computing architectures require an accurate and efficient description in terms of many-electron states. Recent implementations include quantum dot arrays, where the ground state of a multi q-bit system can be altered by voltages…
In quantum chemistry, the price paid by all known efficient model chemistries is either the truncation of the Hilbert space or uncontrolled approximations. Theoretical computer science suggests that these restrictions are not mere…
To obtain the basis for combining various many-body techniques to QED in a consistent manner, we investigate the theory of quantum electrodynamical self-consistent fields. The reserch interest was born mainly of the electronic structure…
Free electrons interacting coherently with optical fields provide a powerful platform for quantum simulation and quantum control. For kiloelectron-volt electron energies, even optical photon emission and absorption produce appreciable…
Shuttling of single electrons in gate-defined silicon quantum dots is numerically simulated. A minimal gate geometry without explicit tunnel barrier gates is introduced, and used to define a chain of accumulation mode quantum dots, each…
Quantum Monte Carlo (QMC) is an advanced simulation methodology for studies of manybody quantum systems. In this review, we focus on the electronic structure QMC, i.e., methods relevant for systems described by the electron-ion…
Any architecture for practical quantum computing must be scalable. An attractive approach is to create multiple cores, computing regions of fixed size that are well-spaced but interlinked with communication channels. This exploded…
Photon entanglement is indispensable for optical quantum technologies. Measurement-based optical quantum computing and all-optical quantum networks rely on multiphoton cluster states consisting of indistinguishable entangled photons. A…
The small size and excellent integrability of silicon metal-oxide-semiconductor (SiMOS) quantum dot spin qubits make them an attractive system for mass-manufacturable, scaled-up quantum processors. Furthermore, classical control electronics…
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…
We present a novel "linear combination of atomic orbitals"-type of approximation, enabling accurate electronic structure calculations for systems of up to 20 or more electronically coupled quantum dots. Using realistic single quantum dot…
In the presence of spin-orbit coupling, quantum models for semiconductor materials are generally not exactly solvable. As a result, understanding of the strong spin-orbit coupling effects in these systems remains poor. Here we develop an…