Related papers: Quantum Entanglement and Electron Correlation in M…
In quantum chemistry calculations, the correlation energy is defined as the difference between the Hartree-Fock limit energy and the exact solution of the nonrelativistic Schrodinger equation. With this definition, the electron correlation…
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…
We theoretically investigate the quantum correlations (in terms of concurrence of indistinguishable electrons) in a prototype molecular system (hydrogen molecule). With the assistance of the standard approximations of the linear combination…
At present, there are many methods of quantum entanglement of particles with an electromagnetic field. Most methods have a low probability of quantum entanglement and not an exact theoretical apparatus based on an approximate solution of…
A recent development in quantum chemistry has established the quantum mutual information between orbitals as a major descriptor of electronic structure. This has already facilitated remarkable improvements of numerical methods and may lead…
Entanglement is one of the most fascinating concepts of modern physics. In striking contrast to its abstract, mathematical foundation, its practical side is, however, remarkably underdeveloped. Even for systems of just two orbitals or sites…
Efficient computation of molecular energies is an exciting application of quantum computing for quantum chemistry, but current noisy intermediate-scale quantum (NISQ) devices can only execute shallow circuits, limiting existing variational…
Entanglement, including ``quantum entanglement,'' is a consequence of correlation between objects. When the objects are subunits of pairs which in turn are members of an ensemble described by a wave function, a correlation among the…
We present a novel theory and implementation for computing coupled electronic and quantal nuclear subsystems on a single potential energy surface, moving beyond the standard Born-Oppenheimer (BO) separation of nuclei and electrons. We…
Electron correlation effects are essential for an accurate ab initio description of molecules. A quantitative a priori knowledge of the single- or multi-reference nature of electronic structures as well as of the dominant contributions to…
The concept of correlation is central to all approaches that attempt the description of many-body effects in electronic systems. Multipartite correlation is a quantum information theoretical property that is attributed to quantum states…
The basic concepts of orbital entanglement and its application to chemistry are briefly reviewed. The calculation of orbital entanglement measures from correlated wavefunctions is discussed in terms of reduced $n$-particle density matrices.…
Quantum entanglement is a fundamental property of quantum mechanics. Recently, studies have explored entanglement in the $t\bar{t}$ system at the Large Hadron Collider (LHC) when both the top quark and anti-top quark decay leptonically.…
It is one of the most remarkable features of quantum physics that measurements on spatially separated systems cannot always be described by a locally causal theory. In such a theory, the outcomes of local measurements are determined in…
The entanglement between occupation-numbers of different single particle basis states depends on coupling between different single particle basis states in the second-quantized Hamiltonian. Thus in principle, interaction is not necessary…
The quantum entanglement entropy of the electrons in one-dimensional hydrogen molecule is quantified locally using an appropriate partitioning of the two-dimensional configuration space. Both the global and the local entanglement entropy…
Nonlocal entanglement between pair-correlated particles is a highly counter-intuitive aspect of quantum mechanics, where measurement on one particle can instantly affect the other, regardless of distance. While the rigorous Bell's…
Bell inequality violation is a quantitative measurement tool for quantum entanglement. Quantum entanglement is the heart of quantum information science, in which the resulting nonlocal correlation between remotely separated photons shows a…
The chemical bond is an important local concept to understand chemical compounds and processes. Unfortunately, like most local concepts, the chemical bond and the bond order do not correspond to any physical observable and thus cannot be…
The second quantum revolution is all about exploiting the quantum nature of atoms and molecules to execute quantum information processing tasks. To support this growing endeavor and by anticipating the key role of quantum chemistry therein,…