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Quantum Mechanics
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The article was published on 1961-01-01 and is currently open access. It has received 20079 citations till now. The article focuses on the topics: Adiabatic quantum computation.read more
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A new approach for studying nucleation phenomena using molecular simulations: Application to CO2 hydrate clathrates
TL;DR: In this article, the authors used an order-parameter formulation, in conjunction with non-Boltzmann sampling, to study the nucleation of clathrate hydrates from water-CO2 mixtures.
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Microscopic approach to current-driven domain wall dynamics
TL;DR: In this paper, the authors investigated the domain wall dynamics induced by an electric current, based on the s − d exchange model, and derived coupled equations of motion derived for two collective coordinates.
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Quantum mechanical reactive scattering for three-dimensional atom plus diatom systems. I. Theory
George C. Schatz,Aron Kuppermann +1 more
TL;DR: In this paper, a method for accurately solving the Schrodinger equation for the reactive collision of an atom with a diatomic molecule in three dimensions on a single Born-Oppenheimer potential energy surface is presented.
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The optical properties of thallium-like impurities in alkali-halide crystals
TL;DR: In this paper, experimental and theoretical investigations of optical absorption and emission spectra of alkali-halides doped with Tl+-like impurities are reviewed and an extensive interpretation of the complex phenomena is presented and critically assessed.
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Accurate localized and delocalized vibrational states of HCN/HNC
Zlatko Bačić,John C. Light +1 more
TL;DR: In this article, the first accurate quantum calculation of the delocalized, large amplitude motion vibrational (J=0) levels of HCN/HNC, lying above the isomerization barrier, is presented.