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Anglický jazyk
Symmetrical windowing for quantum states
Autor: Sharon M. Midgley
The quasi-classical (QC) approach embodies a simple methodology, based purely on classical mechanics, for modeling transitions between quantum states in atomic and molecular dynamics (MD) simulation. In the standard quasiclassical trajectory (QCT) simulation... Viac o knihe
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O knihe
The quasi-classical (QC) approach embodies a simple methodology, based purely on classical mechanics, for modeling transitions between quantum states in atomic and molecular dynamics (MD) simulation. In the standard quasiclassical trajectory (QCT) simulation [4], molecular vibrational and/or rotational degrees of freedom (DOFs) are expressed in terms of classical actionangle variables, the action variables being classical generalized momenta serving as the classical analogues of the vibrational and/or rotational quantum numbers. "Quantization" is then accomplished by initializing classical trajectories with integer values of the action variables-i.e., at the quantum energy level of the initial state-and the final distribution of quantum states is obtained by accumulating the values of the classical action variables in "bins" (or histograms) of unit-width centered about the integer quantum values corresponding to the accessible quantum states.
- Vydavateľstvo: maryam publisher
- Rok vydania: 2023
- Formát: Paperback
- Rozmer: 229 x 152 mm
- Jazyk: Anglický jazyk
- ISBN: 9789972778865
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