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Ru-Fen Liu

Publications and source records attributed to Ru-Fen Liu.

9 recordsLinked to original sources

Spooky correlations and unusual van der Waals forces between gapless and near-gapless molecules

We consider the zero-temperature van der Waals interaction between two molecules, each of which has a zero or near-zero electronic gap between a groundstate and the first excited state, using a toy model molecule ( equilateral H3) as an example. We show that the van der Waals energy between two groundstate molecules falls off as D^(-3) instead of the usual D^(-6) dependence, when the molecules are separated by distance D: We show that this is caused by perfect "spooky" correlation between the two fluctuating electric dipoles. The phenomenon is related to, but not the same as, the "resonant" interaction between an electronically excited and a groundstate molecule introduced by Eisenschitz and London in 1930. It is also an example of "type C van der Waals non- additivity" recently introduced by one of us ( Int. J. Quantum Chem. 114, 1157 (2014)). Our toy molecule H3 is not stable, but symmetry considerations suggest that a similar vdW phenomenon may be observable, despite Jahn-Teller effects, in molecules with discrete rotational symmetry and broken inversion symmetry, such as certain metal atom clusters. The motion of the nuclei will need to be included for a definitive analysis of such cases, however.

cond-mat.other

Correlation energy expressions from the adiabatic-connection fluctuation-dissipation theorem approach

We explore several random phase approximation (RPA) correlation energy variants within the adiabatic-connection fluctuation-dissipation theorem approach. These variants differ in the way the exchange interactions are treated. One of these variants, named dRPA-II, is original to this work and closely resembles the second-order screened exchange (SOSEX) method. We discuss and clarify the connections among different RPA formulations. We derive the spin-adapted forms of all the variants for closed-shell systems, and test them on a few atomic and molecular systems with and without range separation of the electron-electron interaction.

physics.chem-ph

Magnetism in 2D BN$_{1-x}$O$_x$ and B$_{1-x}$Si$_x$N: polarized itinerant and local electrons

We use density functional theory based first-principles methods to study the magnetism in a 2D hexagonal BN sheet induced by the different concentrations of oxygen and silicon atoms substituting for nitrogen (O$_\mathrm{N}$) and boron (Si$_\mathrm{B}$) respectively. We demonstrate the possible formation of three distinct phases based on the magnetization energy calculated self-consistently for the ferromagnetic (ME$_{\mathrm{FM}}$) and antiferromagnetic (ME$_{\mathrm{AFM}}$) states, i.e. the paramagnetic phase with ME$_{\mathrm{FM}}$=ME$_{\mathrm{AFM}}$, the ferromagnetic phase with ME$_{\mathrm{FM}}$$>$ME$_{\mathrm{AFM}}$ and finally the polarized itinerant electrons with finite ME$_{\mathrm{FM}}$ but zero ME$_{\mathrm{AFM}}$. While the O$_\mathrm{N}$ system was found to exist in all three phases, no tendency towards the formation of the polarized itinerant electrons was observed for the Si$_\mathrm{B}$ system though the existence of the other two phases was ascertained. The different behavior of these two systems is associated with the diverse features in the magnetization energy as a function of the oxygen and silicon concentrations. Finally, the robustness of the polarized itinerant electron phase is also discussed with respect to the O substitute atom distributions and the applied strains to the system.

cond-mat.mtrl-sci

Ab initio Studies of the Possible Magnetism in BN Sheet by Non-magnetic Impurities and Vacancies

We performed first-principles calculations to investigate the possible magnetism induced by the different concentrations of non-magnetic impurities and vacancies in BN sheet. The atoms of Be, B, C, N, O, Al and Si are used to replace either B or N in the systems as impurities. We discussed the changes in density of states as well as the extent of the spatial distributions of the defect states, the possible formation of magnetic moments, the magnitude of the magnetization energies and finally the exchange energies due to the presence of these defects. It is shown that the magnetization energies tend to increase as the concentrations of the defects decreases in most of the defect systems which implies a definite preference of finite magnetic moments. The calculated exchange energies are in general tiny but not completely insignificant for two of the studied defect systems, i.e. one with O impurities for N and the other with B vacancies.

cond-mat.mtrl-sci

Ground State Instabilities and Entanglement in the Detuned Dicke Model

Ground state instabilities of the spin-boson model is studied in this work. The existence of sequential ground state instabilities is shown analytically for arbitrary detuning in the two-spin system. In this model, extra discontinuities of concurrence(entanglement measure) are found in the finite system, which do not appear in the on-resonant model. The above results remain intact by including extra boson modes. Moreover, by including extra modes, it is found that ground state entanglement can be obtained and enhanced even in the weak coupling regime.

quant-ph

Role of Bell Singlet State in the Suppression of Disentanglement

The stability of entanglement of two atoms in a cavity is analyzed in this work. By studying the general Werner states we clarify the role of Bell-singlet state in the problem of suppression of disentanglement due to spontaneous emission. It is also shown explicitly that the final amount of entanglement depends on the initial ingredients of the Bell-singlet state.

quant-ph

Analytic Proof of the Attractors of a Class of Cellular Automaton

In this work we provide analytic results of infinite one-dimensional cellular automaton(CA). By realizing symbolic products, we investigate a subclass of infinite CA and prove analytically that within this subclass the only allowed attractors are homogenous, steady and periodic states for arbitrary initial configuration. Our method also provide exact enumeration of these attractors and it is shown explicitly in a particular model.

nlin.CG

Generation and Evolution of Spin Entanglement in NRQED

A complete analysis on the generation of spin entanglement from NRQED is presented. The results of entanglement are obtained with relativistic correction to the leading order of (v/c)^2. It is shown that to this order the degree of entanglement of a singlet state does not change under time evolution whereas the triplet state can change.

quant-ph

Homogeneous States of Finite Periodic CA with GKL Rules

For any finite lattice of size 2N, it is shown that the GKL automaton will evolve into attractors if the initial configurations contains an homogeneous block of size larger than N. The best time estimation for reaching these attracting states is obtained. Our results also confirm to the case of infinite lattice which has been obtained previously.

nlin.CG