Related papers: Entanglement Coupled Cluster Theory: Exact Spin-Ad…
Electronic structure methods built around double-electron excitations have a rich history in quantum chemistry. However, it seems to be the case that such methods are only suitable in particular situations and are not naturally equipped to…
The open-shell reference relativistic equation-of-motion coupled-cluster method within its four-component description is successfully implemented with the consideration of single- and double- excitation approximation. The one-body and…
We present two entanglement concentration protocols (ECPs) for arbitrary three-electron W state based on their charges and spins. Different from other ECPs, in both two ECPs, with the help of the electronic polarization beam splitter (PBS)…
The simulation of strongly correlated electron systems remains a formidable challenge. Certain experimentally relevant dynamical response functions are especially difficult to calculate, due to issues of finite-size effects and the ill…
We theoretically explore the possibility of creating spin entanglement by simultaneously coupling two electronic spins to a nuclear ensemble. By microscopically modeling the spin ensemble with a single mode boson field, we use the…
Quantum embedding methods have recently developed significantly to model large molecular structures. This work proposes a novel wave function theory in density functional theory (WTF-in-DFT) embedding scheme based on pair-coupled cluster…
The spin-dynamics of two alkali atoms in an optical tweezer is driven by spin-changing collisions that couple the spin-state of the atoms to their relative motion. This paper experimentally studies the resulting spin-states when the…
We propose a scheme based on using the singlet ground state of an electron spin pair in a double quantum dot nanostructure as a suitable set-up for detecting entanglement between electron spins via the measurement of an optimal entanglement…
We present an entanglement concentration protocol for electrons based on their spins and their charges. The combination of an electronic polarizing beam splitter and a charge detector functions as a parity check device for two electrons,…
We theoretically model the electronic dynamics of a coupled quantum dot pair in a static electric field. We then investigate the possibility of polarization-entangled photon emission from the radiative cascade of the molecular biexciton…
Quantum entanglement is a concept commonly used with reference to the existence of certain correlations in quantum systems that have no classical interpretation. It is a useful resource to enhance the mutual information of memory channels…
The motion of electrons and nuclei in photochemical events often involve conical intersections, degeneracies between electronic states. They serve as funnels for nuclear relaxation - on the femtosecond scale - in processes where the…
A dynamical formulation of coupled cluster theory is derived using a variational principle. By allowing time-dependent single-particle functions, a high degree of adaptivity is introduced, allowing complex systems to be simulated with high…
In classical computational chemistry, the coupled-cluster ansatz is one of the most commonly used $ab~initio$ methods, which is critically limited by its non-unitary nature. The unitary modification as an ideal solution to the problem is,…
In this tutorial-style review we discuss basic concepts of coupled cluster theory and recent developments that increase its computational efficiency for calculations of molecules, solids and materials in general. We will touch upon the…
We propose a strategy to generate a many-body entangled state in a collection of randomly placed, dipolarly coupled electronic spins in the solid state. By using coherent control to restrict the evolution into a suitable collective…
We analyze the properties of the exact solution obtained by us recently for the extended Hetiler-London model for chemical bonding which has an analytic form. The emphasis is put on defining two-particle entanglement correlation as the…
In recent years inelastic spin-flip spectroscopy using a lowtemperature scanning tunneling microscope has been a very successful tool for studying not only individual spins but also complex coupled systems. When these systems interact with…
We employ the closed-shell perturbed relativistic coupled-cluster (RCC) theory developed by us earlier [Phys. Rev. A {\bf 77}, 062516 (2008)] to evaluate the ground state static electric dipole polarizabilities (\alpha s) of several atomic…
Entanglement of spins is analyzed for two electrons extracted from a mixed many electron state by projecting onto the two-electron subspace. The concurrence formulae are expressed in a compact form for states with a well defined square of…