نتایج جستجو برای: semiempirical quantum mechanics

تعداد نتایج: 337980  

2008
Howard Barnum

Quantum information and computation may serve as a source of useful axioms and ideas for the quantum structures project of characterizing and classifying types of physical theories, including quantum mechanics and classical mechanics. The axiomatic approach of quantum structures may help isolate what aspects of quantum mechanics are responsible for what aspects of its greater-than-classical inf...

Journal: :Journal of chemical theory and computation 2007
Kwangho Nam Qiang Cui Jiali Gao Darrin M York

A semiempirical AM1/d Hamiltonian is developed to model phosphoryl transfer reactions catalyzed by enzymes and ribozymes for use in linear-scaling calculations and combined quantum mechanical/molecular mechanical simulations. The model, designated AM1/d-PhoT, is parametrized for H, O, and P atoms to reproduce high-level density-functional results from a recently constructed database of quantum ...

2014
Christian Schröder de Witt Vladimir Zamdzhiev

Backens recently proved that the ZX-calculus is complete for an important subset of quantum mechanics, namely stabilizer quantum mechanics, i.e. that for stabilizer quantum mechanics, any equation that can be shown to hold in the Dirac formalism can also be shown to hold within the ZX-calculus[2]. For her proof, she relied on operations on a special class of quantum states, namely graph states....

1999
Diederik Aerts

We present an analysis of quantum mechanics and its problems and paradoxes taking into account the results that have been obtained during the last two decades by investigations in the field of ‘quantum structures research’. We concentrate mostly on the results of our group FUND at Brussels Free University. By means of a spin 1 2 model where the quantum probability is generated by the presence o...

2001
E. C. G. Sudarshan

It is often stated that quantum mechanics only makes statistical predictions and that a quantum state is described by the various probability distributions associated with it. Can we describe a quantum state completely in terms of probabilities and then use it to describe quantum dynamics? What is the origin of the probability distribution for a maximally specified quantum state? Is quantum mec...

2005
Jeffrey Bub

This Chapter deals with theoretical developments in the subject of quantum information and quantum computation, and includes an overview of classical information and some relevant quantum mechanics. The discussion covers topics in quantum communication, quantum cryptography, and quantum computation, and concludes by considering whether a perspective in terms of quantum information sheds new lig...

1999
Diederik Aerts

We present an analysis of quantum mechanics and its problems and paradoxes taking into account the results that have been obtained during the last two decades by investigations in the field of ‘quantum structures research’. We concentrate mostly on the results of our group FUND at Brussels Free University. By means of a spin 1 2 model where the quantum probability is generated by the presence o...

2002
Romulus Breban

We attempt a unification between the Quantum and the Statistical Mechanics of a single spinless particle. We consider a five dimensional (5D) space-time with no matter. We postulate that all physical information on single particle propagation is given by statistics on null paths in this space-time. If the 5D metric doesn’t depend on the fifth space-like coordinate, then the propagation problem ...

2007
Esteban Guevara Hidalgo

The relationships between game theory and quantum mechanics let us propose certain quantization relationships through which we could describe and understand not only quantum but also classical, evolutionary and the biological systems that were described before through the replicator dynamics. Quantum mechanics could be used to explain more correctly biological and economical processes and even ...

2012
Keith C. Schwab

verything moves! In a world dominated by electronic devices and instruments it is easy to forget that all measurements involve motion, whether it be the motion of electrons through a transistor, Cooper pairs or quasiparti-cles through a superconducting quantum interference device (SQUID), photons through an optical interferome-ter—or the simple displacement of a mechanical element. Nanoscience ...

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