Fundamentals of quantum electronics

Yubo Yang, Vitaly Gorelov, Carlo Pierleoni +2 more

Accurate prediction of the fundamental gap in insulators is a challenge for electronic structure theories. Electronic correlation and finite-size effects can significantly change the fundamental gap. Using quantum Monte Carlo, the authors show here that the fundamental gap can be calculated as the derivative discontinuity of the energy with respect to the electron density in the grand-canonical ensemble. Further, the finite-size error can be understood and corrected using information encoded in the electronic structure factor. The presented methodology applies for any explicitly correlated method.

Xiaomin Ren

The fundamentals of quantum mechanics, surely also of quantum electronics, have been found of some imperfections. Based on the relevant remedy regarding de Broglie relationship of wave-particle duality, both Schrödinger equation and Dirac equation are comprehensively modified.

Paul L. Kelley, Benjamin Lax, Peter E. Tannenwald

Arnab Kar, Liping Chen, Ignacio Franco

We introduce a theory that exposes the fundamental and previously overlooked connection between the correlation among electrons and the degree of quantum coherence of electronic states in matter. For arbitrary states, the effects only decouple when the electronic dynamics induced by the nuclear bath is pure-dephasing in nature such that [H(S),H(SB)] = 0, where H(S) is the electronic Hamiltonian and H(SB) is the electron-nuclear coupling. We quantitatively illustrate this connection via exact simulations of a Hubbard-Holstein molecule using the Hierarchical Equations of Motion that show that increasing the degree of electronic interactions can enhance or suppress the rate of electronic coherence loss.

P. Hlawiczka