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pro vyhledávání: '"Halliday, Jessica F. K."'
The process by which a nuclear projectile is decelerated by the electrons of the condensed matter it traverses is currently being studied by following the explicit dynamics of projectile and electrons from first principles in a simulation box with a
Externí odkaz:
http://arxiv.org/abs/2203.15842
Publikováno v:
Phys. Rev. Research 3, 043134, (2021)
The numerical integration of the Schr\"odinger equation by discretization of time is explored for the curved manifolds arising from finite representations based on evolving basis states. In particular, the unitarity of the evolution is assessed, in t
Externí odkaz:
http://arxiv.org/abs/2108.12614
Publikováno v:
SciPost Phys. 12, 020 (2022)
Known force terms arising in the Ehrenfest dynamics of quantum electrons and classical nuclei, due to a moving basis set for the former, can be understood in terms of the curvature of the manifold hosting the quantum states of the electronic subsyste
Externí odkaz:
http://arxiv.org/abs/2107.05092
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