# Chemical bond and entanglement of electrons in the hydrogen molecule

@article{Iliopoulos2014ChemicalBA, title={Chemical bond and entanglement of electrons in the hydrogen molecule}, author={Nikos Iliopoulos and Andreas F. Terzis School of Natural Sciences and University of Patras and Greece.}, journal={arXiv: Quantum Physics}, year={2014} }

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 of atomic orbitals and the configuration interaction methods we describe the electronic wavefunction of the ground state of the H2 molecule. Moreover, we managed to find a rather simple analytic expression for the concurrence (the most used measure of…

## References

SHOWING 1-10 OF 21 REFERENCES

Quantum correlations in two-boson wave functions

- Physics
- 2001

We present the Schmidt decomposition for arbitrary wave functions of two indistinguishable bosons, extending the recent studies of entanglement or quantum correlations for two fermion systems [J.…

Double-occupancy errors, adiabaticity, and entanglement of spin qubits in quantum dots

- Physics
- 2001

Quantum gates that temporarily increase singlet-triplet splitting in order to swap electronic spins in coupled quantum dots lead inevitably to a finite double-occupancy probability for both dots. By…

Quantum discord: a measure of the quantumness of correlations.

- PhysicsPhysical review letters
- 2002

This work shows that absence of entanglement does not imply classicality, and considers the vanishing of discord as a criterion for the preferred effectively classical states of a system, i.e., the pointer states.

Entanglement of Formation of an Arbitrary State of Two Qubits

- Physics
- 1998

The entanglement of a pure state of a pair of quantum systems is defined as the entropy of either member of the pair. The entanglement of formation of a mixed state is defined as the minimum average…

Quantum computation and quantum information

- PhysicsMathematical Structures in Computer Science
- 2007

This special issue of Mathematical Structures in Computer Science contains several contributions related to the modern field of Quantum Information and Quantum Computing. The first two papers deal…

Quantum Correlations in Systems of Indistinguishable Particles

- Physics
- 2002

We discuss quantum correlations in systems of indistinguishable particles in relation to entanglement in composite quantum systems consisting of well separated subsystems. Our studies are motivated…

Quantum correlations in two-fermion systems

- Mathematics
- 2001

We characterize and classify quantum correlations in two-fermion systems having 2K single-particle states. For pure states we introduce the Slater decomposition and rank (in analogy to Schmidt…

Correlations in emitters coupled to plasmonic waveguides

- Physics
- 2013

We report on quantum, classical, and total correlations in a set of distant quantum emitters coupled via their interaction with the plasmon modes of a one-dimensional waveguide driven by an external…

Classical, quantum and total correlations

- Physics
- 2001

We discuss the problem of separating consistently the total correlations in a bipartite quantum state into a quantum and a purely classical part. A measure of classical correlations is proposed and…

Entangled Systems: New Directions in Quantum Physics

- Physics
- 2007

Preface to the English Edition. Preface to the German Edition. 1 The Mathematical Framework. 1.1 Hilbert Vector Space. 1.2 Liouville Operator Space. 1.3 The Elements of Probability Theory. 1.4…