Journal ArticleDOI
Conductance viewed as transmission
Yoseph Imry,Rolf Landauer +1 more
TLDR
In this article, Anderson et al. proposed a totally quantum-mechanical approach to calculate conductance in cases where the carriers have a quantum mechanically coherent history within the sample, making it essential to take the interfaces into account.Abstract:
Early quantum theories of electrical conduction were semiclassical. Electrons were accelerated according to Bloch’s theorem; this was balanced by back scattering due to phonons and lattice defects. Cross sections for scattering, and band structures, were calculated quantum-mechanically, but the balancing process allowed only for occupation probabilities, not permitting a totally coherent process. Also, in most instances, scatterers at separate locations were presumed to act incoherently. Totally quantum-mechanical theories stem from the 1950s, and have diverse sources. Particularly intense concern with the need for more quantum mechanical approaches was manifested in Japan, and Kubo’s formulation became the most widely accepted version. Quantum theory, as described by the Schrodinger equation, is a theory of conservative systems, and does not allow for dissipation. The Schrodinger equation readily allows us to calculate polarizability for atoms, molecules, or other isolated systems that do not permit electrons to enter or leave. Kubo’s linear-response theory is essentially an extended theory of polarizability. Some supplementary handwaving is needed to calculate a dissipative effect such as conductance, for a sample with boundaries where electrons enter and leave (Anderson, 1997). After all, no theory that ignores the interfaces of a sample to the rest of its circuit can possibly calculate the resistance of such a sample of limited extent. Modern microelectronics has provided the techniques for fabricating very small samples. These permit us to study conductance in cases where the carriers have a totally quantum mechanically coherent history within the sample, making it essential to take the interfaces into account. Mesoscopic physics, concerned with samples that are intermediate in size between the atomic scale and the macroscopic one, can now demonstrate in manufactured structures much of the quantum mechanics we associate with atoms and molecules.read more
Citations
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Journal ArticleDOI
Advances in molecular quantum chemistry contained in the Q-Chem 4 program package
Yihan Shao,Zhengting Gan,Evgeny Epifanovsky,Andrew T. B. Gilbert,Michael Wormit,Joerg Kussmann,Adrian W. Lange,Andrew Behn,Jia Deng,Xintian Feng,Debashree Ghosh,Matthew Goldey,Paul R. Horn,Leif D. Jacobson,Ilya Kaliman,Rustam Z. Khaliullin,Tomasz Kuś,Arie Landau,Jie Liu,Emil Proynov,Young Min Rhee,Ryan M. Richard,Mary A. Rohrdanz,Ryan P. Steele,Eric J. Sundstrom,H. Lee Woodcock,Paul M. Zimmerman,Dmitry Zuev,Ben Albrecht,Ethan Alguire,Brian J. Austin,Gregory J. O. Beran,Yves A. Bernard,Eric J. Berquist,Kai Brandhorst,Ksenia B. Bravaya,Shawn T. Brown,David Casanova,Chun-Min Chang,Yunqing Chen,Siu Hung Chien,Kristina D. Closser,Deborah L. Crittenden,Michael Diedenhofen,Robert A. DiStasio,Hainam Do,Anthony D. Dutoi,Richard G. Edgar,Shervin Fatehi,Laszlo Fusti-Molnar,An Ghysels,Anna Golubeva-Zadorozhnaya,Joseph Gomes,Magnus W. D. Hanson-Heine,Philipp H. P. Harbach,Andreas W. Hauser,Edward G. Hohenstein,Zachary C. Holden,Thomas-C. Jagau,Hyunjun Ji,Benjamin Kaduk,Kirill Khistyaev,Jae-Hoon Kim,Jihan Kim,Rollin A. King,Phil Klunzinger,Dmytro Kosenkov,Tim Kowalczyk,Caroline M. Krauter,Ka Un Lao,Adèle D. Laurent,Keith V. Lawler,Sergey V. Levchenko,Ching Yeh Lin,Fenglai Liu,Ester Livshits,Rohini C. Lochan,Arne Luenser,Prashant Uday Manohar,Samuel F. Manzer,Shan-Ping Mao,Narbe Mardirossian,Aleksandr V. Marenich,Simon A. Maurer,Nicholas J. Mayhall,Eric Neuscamman,C. Melania Oana,Roberto Olivares-Amaya,Darragh P. O’Neill,John Parkhill,Trilisa M. Perrine,Roberto Peverati,Alexander Prociuk,Dirk R. Rehn,Edina Rosta,Nicholas J. Russ,Shaama Mallikarjun Sharada,Sandeep Sharma,David W. Small,Alexander J. Sodt,Tamar Stein,David Stück,Yu-Chuan Su,Alex J. W. Thom,Takashi Tsuchimochi,Vitalii Vanovschi,Leslie Vogt,Oleg A. Vydrov,Tao Wang,Mark A. Watson,Jan Wenzel,Alec F. White,Christopher F. Williams,Jun Yang,Sina Yeganeh,Shane R. Yost,Zhi-Qiang You,Igor Ying Zhang,Xing Zhang,Yan Zhao,Bernard R. Brooks,Garnet Kin-Lic Chan,Daniel M. Chipman,Christopher J. Cramer,William A. Goddard,Mark S. Gordon,Warren J. Hehre,Andreas Klamt,Henry F. Schaefer,Michael W. Schmidt,C. David Sherrill,Donald G. Truhlar,Arieh Warshel,Xin Xu,Alán Aspuru-Guzik,Roi Baer,Alexis T. Bell,Nicholas A. Besley,Jeng-Da Chai,Andreas Dreuw,Barry D. Dunietz,Thomas R. Furlani,Steven R. Gwaltney,Chao-Ping Hsu,Yousung Jung,Jing Kong,Daniel S. Lambrecht,WanZhen Liang,Christian Ochsenfeld,Vitaly A. Rassolov,Lyudmila V. Slipchenko,Joseph E. Subotnik,Troy Van Voorhis,John M. Herbert,Anna I. Krylov,Peter Gill,Martin Head-Gordon +156 more
TL;DR: A summary of the technical advances that are incorporated in the fourth major release of the Q-Chem quantum chemistry program is provided in this paper, covering approximately the last seven years, including developments in density functional theory and algorithms, nuclear magnetic resonance (NMR) property evaluation, coupled cluster and perturbation theories, methods for electronically excited and open-shell species, tools for treating extended environments, algorithms for walking on potential surfaces, analysis tools, energy and electron transfer modelling, parallel computing capabilities, and graphical user interfaces.
Journal ArticleDOI
Physical one-way functions
TL;DR: The concept of fabrication complexity is introduced as a way of quantifying the difficulty of materially cloning physical systems with arbitrary internal states as primitives for physical analogs of cryptosystems.
Journal ArticleDOI
Molecular Electronics with Carbon Nanotubes
TL;DR: In this article, the authors review the electrical properties of carbon nanotubes, and then focus on carbon Nanotube field effect transistors (CNTFETs) and compare their electrical properties with those of Si MOSFETs.
Journal ArticleDOI
Carbon nanotube electronics
TL;DR: In this paper, the potential of carbon nanotubes (CNTs) as the basis for a new nanoelectronic technology was evaluated and compared to those of corresponding silicon devices.
Journal ArticleDOI
Driven quantum transport on the nanoscale
TL;DR: In this paper, the authors explore the prospects to control by use of time-dependent fields quantum transport phenomena in nanoscale systems and study for driven conductors the electron current and its noise properties.
References
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Book
An introduction to the bootstrap
Bradley Efron,Robert Tibshirani +1 more
TL;DR: This article presents bootstrap methods for estimation, using simple arguments, with Minitab macros for implementing these methods, as well as some examples of how these methods could be used for estimation purposes.
Book
Electronic transport in mesoscopic systems
TL;DR: In this article, preliminary concepts of conductance from transmission, S-matrix and Green's function formalism are discussed. And double-barrier tunnelling is considered.
Journal ArticleDOI
Scaling Theory of Localization: Absence of Quantum Diffusion in Two Dimensions
TL;DR: In this paper, it was shown that the conductance of disordered electronic systems depends on their length scale in a universal manner, and asymptotic forms for the scaling function were obtained for both two-dimensional and three-dimensional systems.
Electronic Transport in Mesoscopic Systems
TL;DR: In this article, preliminary concepts of conductance from transmission, S-matrix and Green's function formalism are discussed. And double-barrier tunnelling is considered.