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Bound state

About: Bound state is a research topic. Over the lifetime, 17847 publications have been published within this topic receiving 366442 citations.


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TL;DR: In this paper, the performance of time-dependent density-functional response theory (TD-DFRT) for the calculation of high-lying bound electronic excitation energies of molecules is evaluated.
Abstract: This paper presents an evaluation of the performance of time-dependent density-functional response theory (TD-DFRT) for the calculation of high-lying bound electronic excitation energies of molecules. TD-DFRT excitation energies are reported for a large number of states for each of four molecules: N2, CO, CH2O, and C2H4. In contrast to the good results obtained for low-lying states within the time-dependent local density approximation (TDLDA), there is a marked deterioration of the results for high-lying bound states. This is manifested as a collapse of the states above the TDLDA ionization threshold, which is at ??HOMOLDA (the negative of the highest occupied molecular orbital energy in the LDA). The ??HOMOLDA is much lower than the true ionization potential because the LDA exchange-correlation potential has the wrong asymptotic behavior. For this reason, the excitation energies were also calculated using the asymptotically correct potential of van Leeuwen and Baerends (LB94) in the self-consistent field step. This was found to correct the collapse of the high-lying states that was observed with the LDA. Nevertheless, further improvement of the functional is desirable. For low-lying states the asymptotic behavior of the exchange-correlation potential is not critical and the LDA potential does remarkably well. We propose criteria delineating for which states the TDLDA can be expected to be used without serious impact from the incorrect asymptotic behavior of the LDA potential

4,480 citations

Journal ArticleDOI
TL;DR: In this paper, a superconductive solution describing the proton-neutron doublet is obtained from a nonlinear spinor field Lagrangian, and the pions of finite mass are found as nucleon-antinucleon bound states by introducing a small bare mass into the Lagrangians which otherwise possesses a certain type of the ∆-ensuremath{gamma{5}$ invariance.
Abstract: Continuing the program developed in a previous paper, a "superconductive" solution describing the proton-neutron doublet is obtained from a nonlinear spinor field Lagrangian. We find the pions of finite mass as nucleon-antinucleon bound states by introducing a small bare mass into the Lagrangian which otherwise possesses a certain type of the ${\ensuremath{\gamma}}_{5}$ invariance. In addition, heavier mesons and two-nucleon bound states are obtained in the same approximation. On the basis of numerical mass relations, it is suggested that the bare nucleon field is similar to the electron-neutrino field, and further speculations are made concerning the complete description of the baryons and leptons.

3,923 citations

Journal ArticleDOI
TL;DR: The measurement of the supercurrent through the junction allows one to discern topologically distinct phases and observe a topological phase transition by simply changing the in-plane magnetic field or the gate voltage, which will be a direct demonstration of the existence of Majorana particles.
Abstract: We propose and analyze theoretically an experimental setup for detecting the elusive Majorana particle in semiconductor-superconductor heterostructures. The experimental system consists of one-dimensional semiconductor wire with strong spin-orbit Rashba interaction embedded into a superconducting quantum interference device. We show that the energy spectra of the Andreev bound states at the junction are qualitatively different in topologically trivial (i.e., not containing any Majorana) and nontrivial phases having an even and odd number of crossings at zero energy, respectively. The measurement of the supercurrent through the junction allows one to discern topologically distinct phases and observe a topological phase transition by simply changing the in-plane magnetic field or the gate voltage. The observation of this phase transition will be a direct demonstration of the existence of Majorana particles.

2,702 citations

Journal ArticleDOI
TL;DR: It is argued that zero-energy Majorana bound states are formed in various situations when such wires are situated in proximity to a conventional s-wave superconductor when the external magnetic field, the superconducting gap, or the chemical potential vary along the wire.
Abstract: We show that the combination of spin-orbit coupling with a Zeeman field or strong interactions may lead to the formation of a helical electron liquid in single-channel quantum wires, with spin and velocity perfectly correlated. We argue that zero-energy Majorana bound states are formed in various situations when such wires are situated in proximity to a conventional s-wave superconductor. This occurs when the external magnetic field, the superconducting gap, or, most simply, the chemical potential vary along the wire. These Majorana states do not require the presence of a vortex in the system. Experimental consequences of the helical liquid and the Majorana states are also discussed.

2,470 citations

Journal ArticleDOI
TL;DR: In this article, it was shown that mobile electrons always give rise to a distortion of the ground state spin arrangement, since electron transfer lowers the energy by a term of first order in the distortion angles.
Abstract: This paper discusses some effects of mobile electrons in some antiferromagnetic lattices. It is shown that these electrons (or holes) always give rise to a distortion of the ground state spin arrangement, since electron transfer lowers the energy by a term of first order in the distortion angles. In the most typical cases this results in: (a) a nonzero spontaneous moment in low fields; (b) a lack of saturation in high fields; (c) simultaneous occurrence of "ferromagnetic" and "antiferromagnetic" lines in neutron diffraction patterns; (d) both ferromagnetic and antiferromagnetic branches in the spin wave spectra. Some of these properties have indeed been observed in compounds of mixed valency such as the manganites with low ${\mathrm{Mn}}^{4+}$ content. Similar considerations apply at finite temperatures, at least for the (most widespread) case where only the bottom of the carrier band is occupied at all temperatures of interest. The free energy is computed by a variational procedure, using simple carrier wave functions and an extension of the molecular field approximation. It is found that the canted arrangements are stable up to a well-defined temperature ${T}_{1}$. Above ${T}_{1}$ the system is either antiferromagnetic or ferromagnetic, depending upon the relative amount of mobile electrons. This behavior is not qualitatively modified when the carriers which are responsible for double exchange fall into bound states around impurity ions of opposite charge. Such bound states, however, will give rise to local inhomogeneities in the spin distortion, and to diffuse magnetic peaks in the neutron diffraction pattern. The possibility of observing these peaks and of eliminating the spurious spin-wave scattering is discussed in an Appendix.

2,073 citations


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Performance
Metrics
No. of papers in the topic in previous years
YearPapers
2023294
2022672
2021524
2020558
2019586
2018573