نتایج جستجو برای: semiempirical quantum mechanics

تعداد نتایج: 337980  

2000
Jan Naudts

This is the first chapter of a new and unconventional textbook on quantum mechanics and quantum field theory. The chapter introduces standard quantum mechanics by means of a symmetry principle, without reference to classical mechanics. The mathematical foundation of this approach comes from a recent paper of Naudts and Kuna on covariance systems. The standard representation of quantum mechanics...

2000
Lemi TÜRKER

AM1-type semiempirical quantum chemical calculations were carried out to explain differences in herbicidal activity between certain phenoxyacetic acid derivatives. It was found that the proper orientation and shape of the COOH group and the phenyl moiety both mutually and individually affected the observed activities.

پایان نامه :وزارت علوم، تحقیقات و فناوری - دانشگاه تبریز - دانشکده فیزیک 1386

چکیده ندارد.

2015
Simon Perdrix Quanlong Wang

The ZX calculus is a diagrammatic language for quantum mechanics and quantum information processing. We prove that the ZX-calculus is not complete for the Clifford+T quantum mechanics. The completeness for this fragment has been stated as one of the main current open problems in categorical quantum mechanics [8]. The ZX calculus was known to be incomplete for quantum mechanics [7], on the other...

2005
James B. Hartle

How do our ideas about quantum mechanics affect our understanding of spacetime? This familiar question leads to quantum gravity. This talk addressed a complementary question: How do our ideas about spacetime affect our understanding of quantum mechanics? Familiar non-relativistic quantum theory illustrates how quantum mechanics incorporates assumptions about spacetime. The Schrödinger equation ...

2004
Martin Karplus

A combined quantum mechanical (QM) and molecular mechanical (MM) potential has been developed for the study of reactions in condensed phases. For the quantum mechanical calculations semiempirical methods of the MNDO and AM1 type are used, while the molecular mechanics part is treated with the CHARMM force field. Specific prescriptions are given for the interactions between the QM and MM portion...

2002
Djordje Minic

We propose a generalization of the standard geometric formulation of quantum mechanics, based on the classical Nambu dynamics of free Euler tops. This extended quantum mechanics has in lieu of the standard exponential time evolution, a nonlinear temporal evolution given by Jacobi elliptic functions. In the limit where latter’s moduli parameters are set to zero, the usual geometric formulation o...

1996
Yuri F. Orlov

The most peculiar, specifically quantum, features of quantum mechanics — quantum nonlocality, indeterminism, interference of probabilities, quantization, wave function collapse during measurement — are explained on a logical-geometrical basis. It is shown that truths of logical statements about numerical values of quantum observables are quantum observables themselves and are represented in qua...

2008
Damien Martin

One of the postulates of quantum mechanics is that the Hamiltonian is Hermitian, as this guarantees that the eigenvalues are real. Recently there has been an interest in asking if H = H is a necessary condition, and has lead to the development of PT -symmetric quantum mechanics. This note shows that any finite physically acceptable non-Hermitian Hamiltonian is equivalent to doing ordinary quant...

2003
A. E. Shalyt - Margolin

In this paper Quantum Mechanics with Fundamental Length is chosen as Quantum Mechanics at Planck's scale. This is possible due to the presence in the theory of General Uncertainty Relations (GUR). Here Quantum Mechanics with Fundamental Length is obtained as a deformation of Quantum Mechanics. The distinguishing feature of the proposed approach in comparison with previous ones, lies on the fact...

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