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关注:
1) Don’t be afraid to say I don’t know
2) Quantum dynamics :量子动力学
导师的话:
Now we face a more serious problem than my criticisms, and this is a general skepticisms by Neil that anything can be said without quantum dynamics (see also his paper with Abe, Phys. Rev. B 88, 174110 (2013). We have to proceed slowly and deliberately.
摘录:
http://www.physi.uni-heidelberg.de/Forschung/QD/
http://en.wikipedia.org/wiki/Quantum_dynamics (*)
http://qkhz.cqvip.com/hzisoshu/qk/95337A/2002z1/1000430313.html
http://v.163.com/special/opencourse/mechanics.html
In physics, quantum dynamics is the quantum version of classical dynamics. Quantum dynamics deals with the motions, and energy and momentum exchanges of systems whose behavior is governed by the laws of quantum mechanics.[1][2] Quantum dynamics is relevant for burgeoning fields, such as quantum computing and atomic optics.
In mathematics, quantum dynamics is the study of the mathematics behind quantum mechanics.[3] Specifically, as a study of dynamics, this field investigates how quantum mechanical observables change over time. Most fundamentally, this involves the study of one-parameter automorphisms of the algebra of all bounded operators on the Hilbert space of observables (which are self-adjoint operators). These dynamics were understood as early as the 1930s, after Wigner, Stone, Hahn and Hellinger worked in the field. Recently, mathematicians in the field have studied irreversible quantum mechanical systems on von Neumann algebras.[4]
什么是quantum disproportionation ?
摘录:Quantum disproportionation: The high hydrides at elevated pressures
A quartet【四重,四方】 of hydrogens can be dynamically bound to group-14 atoms, the resulting complexes having even valence.
In macroscopic assemblies and at high pressures these can give way by dynamically assisted (quantum,量子)disproportionation to complexes with odd【奇数的】 valence and hence, in principle, to metallic tendencies.
A new extended metallic composition of, for example, GeH3 is investigated by first-principles methods within density functional
theory.
Its stoichiometry and its very existence is a direct consequence of inclusion of nuclear quantum dynamical contributions to the free energy. 【如何在计算中考虑核的量子贡献?】
From enthalpic comparisons GeH3 augmented【扩展,增强的】 with hydrogen appears preferred
beyond 175 GPa, where three candidate structures are competitive, these being A15, P42/mmc, and Cccm.
The pressure at which GeH3 makes its appearance is significantly influenced by zero-point energy, and quantum
effects play an important role in a notable trend towards disproportionation.
The ensuing systems are all metallic
and the superconducting transition temperature of GeH3 has been estimated as about 100 K or higher (a common
range for the three prospective structures).
The general proposition of quantum disproportionation at elevated
pressures appears extendable to other high hydrides.
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