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The interrelationship between a material's structure and its properties lies at the heart of materials-related research. Finding how the changes of one affect the other is of primary importance in theoretical and computational materials…

Mesoscale and Nanoscale Physics · Physics 2024-06-14 Hao Wang , Kah-Meng Yam , Zhuoling Jiang , Na Guo , Chun Zhang

Quantitatively accurate electronic structure calculations rely on the proper description of electron correlation. A judicious choice of the approximate quantum chemistry method depends upon the importance of dynamic and nondynamic…

Chemical Physics · Physics 2019-05-09 Eloy Ramos-Cordoba , Eduard Matito

The correlation part of the pair density is separated into two components, one of them being predominant at short electronic ranges and the other at long ranges. The analysis of the intracular part of these components permits to classify…

Chemical Physics · Physics 2019-07-10 Mireia Via-Nadal , Mauricio Rodríguez-Mayorga , Eloy Ramos-Cordoba , Eduard Matito

We optically probe and electrically control a single artificial molecule containing a well defined number of electrons. Charge and spin dependent inter-dot quantum couplings are probed optically by adding a single electron-hole pair and…

Mesoscale and Nanoscale Physics · Physics 2007-05-23 H. J. Krenner , E. C. Clark , T. Nakaoka , M. Bichler , C. Scheurer , G. Abstreiter , J. J. Finley

The electronic and electrical properties of crystalline organic semiconductors, such as the dispersions of the electronic bands and the dependence of charge-carrier mobility on temperature, are greatly impacted by the nonlocal…

Materials Science · Physics 2012-06-06 Yuan Li , Yuanping Yi , Veaceslav Coropceanu , Jean-Luc Brédas

We present a qualitative model for a fundamental process in molecular electronics: the change in conductance upon bond breaking. In our model a diatomic molecule is attached to spin-polarized contacts. Employing a Hubbard Hamiltonian,…

Materials Science · Physics 2008-06-24 Ali Goker , Francois Goyer , Matthias Ernzerhof

We investigate the role of electronic-vibrational coupling in resonant electron transport through single-molecule junctions, taking into account that the corresponding coupling strengths may depend on the charge and excitation state of the…

Mesoscale and Nanoscale Physics · Physics 2016-03-23 Andre Erpenbeck , Rainer Härtle , Michel Bockstedte , Michael Thoss

The electronic transport through a triple quantum dot molecule attached in parallel to leads in presence of a magnetic flux is studied. Analytical expressions of the linear conductance and density of states for the molecule in equilibrium…

Mesoscale and Nanoscale Physics · Physics 2009-11-11 M. L. Ladrón de Guevara , P. A. Orellana

Multi-configurational approaches yield universal wave function parameterizations that can qualitatively well describe electronic structures along reaction pathways. For quantitative results, multi-reference perturbation theory is required…

Chemical Physics · Physics 2016-09-08 Christopher J. Stein , Vera von Burg , Markus Reiher

Long-term simulations of energetic electron fluxes in many space plasma systems require accounting for two groups of processes with well separated time-scales: microphysics of electron resonant scattering by electromagnetic waves and…

Plasma Physics · Physics 2021-10-04 A. S. Lukin , A. V. Artemyev , A. A. Petrukovich

We show that individual vibrational modes in single-molecule junctions with asymmetric molecule-lead coupling can be selectively excited by applying an external bias voltage. Thereby, a non-statistical distribution of vibrational energy can…

Mesoscale and Nanoscale Physics · Physics 2017-09-13 R. Volkovich , R. Härtle , M. Thoss , U. Peskin

The coupling of electrons to phonons (electron-phonon coupling) is crucial for the existence of various phases of matter, in particular superconductivity and density waves. Here, we devise a theory that incorporates the quantum geometry of…

Solid state physics deals with systems composed of atoms with strongly bound electrons. The tunneling probability of each electron is determined by interactions that typically extend to neighboring sites, as their corresponding wave…

Materials Science · Physics 2019-11-27 F. Ramírez-Ramírez , E. Flores-Olmedo , G. Báez , E. Sadurní , R. ~A. Méndez-Sánchez

We study a two dimensional electron system in a parabolic confining potential and constant magnetic field for the case of harmonic electron-electron interaction. We present analytic results for the electrochemical potential versus magnetic…

Mesoscale and Nanoscale Physics · Physics 2009-10-30 Antimo Angelucci , Arturo Tagliacozzo

Hyperfine interaction of electron spins with nuclear spins, in coupled double quantum dots is studied. Results of successive electron spin measurements exhibit bunching due to correlations induced via the nuclear spins. Further nuclear…

Mesoscale and Nanoscale Physics · Physics 2009-11-11 Ozgur Cakir , Toshihide Takagahara

We investigate the transient dynamics of photon statistics through two-time correlation functions for optical fields. We find that the transient correlations at different time t yield a smooth transition from antibunching to bunching photon…

Quantum Physics · Physics 2017-04-11 Md. Manirul Ali , Wei-Min Zhang

We study the statistical properties of charge and energy transport in electron conducting junctions with electron-phonon interactions, specifically, the thermoelectric efficiency and its fluctuations. The system comprises donor and acceptor…

Statistical Mechanics · Physics 2016-01-20 Bijay Kumar Agarwalla , Jian-Hua Jiang , Dvira Segal

We analyze the quantum dynamics of two electromagnetic oscillators coupled in series to a voltage biased Josephson junction. When the applied voltage leads to a Josephson frequency across the junction which matches the sum of the two mode…

Mesoscale and Nanoscale Physics · Physics 2015-06-10 A. D. Armour , Björn Kubala , Joachim Ankerhold

The quantum dynamics of a compound sample consisting from a semiconductor double quantum dot (DQD) system non-linearly coupled with a leaking single-mode micro-resonator is theoretically investigated. The focus is on the resonance condition…

Mesoscale and Nanoscale Physics · Physics 2025-12-25 Tatiana Mihaescu , Aurelian Isar , Mihai A Macovei

We investigate experimentally the influence of current flow through two independent quantum point contacts to a nearby double quantum dot realized in a GaAs-AlGaAs heterostructure. The observed current through the double quantum dot can be…

Mesoscale and Nanoscale Physics · Physics 2009-02-12 U. Gasser , S. Gustavsson , B. Küng , K. Ensslin , T. Ihn , D. C. Driscoll , A. C. Gossard