scholarly journals A reciprocal-space formulation of mixed quantum–classical dynamics

2021 ◽  
Vol 154 (22) ◽  
pp. 224101
Author(s):  
Alex Krotz ◽  
Justin Provazza ◽  
Roel Tempelaar
Keyword(s):  
Reciprocal Space ◽  
Classical Dynamics ◽  
Space Formulation

scholarly journals GAUGE DEPENDENCE IN THE AdS/CFT CORRESPONDENCE

2000 ◽  
Vol 15 (27) ◽  
pp. 4379-4393 ◽  
Author(s):  
H. O. GIROTTI ◽  
VICTOR O. RIVELLES
Keyword(s):  
Vector Boson ◽  
Boson Mass ◽  
Classical Dynamics ◽  
Maxwell Theory ◽  
Conformal Theory ◽  
Gauge Dependence ◽  
Covariant Gauge ◽  
Point Correlation ◽  
Space Formulation ◽  
Infrared Singularities

We consider the AdS space formulation of the classical dynamics deriving from the Stückelberg Lagrangian. The on-shell action is shown to be free of infrared singularities as the vector boson mass tends to zero. In this limit the model becomes Maxwell theory formulated in an arbitrary covariant gauge. Then we use the AdS/CFT correspondence to compute the two-point correlation functions on the boundary. It is shown that the gauge dependence concentrates on the contact terms while the nontrivial part of the conformal theory correlators turns out to be that already found by working in a completely fixed gauge.

Generalized Phase Space Formulation of the Hamiltonian Dynamics

1974 ◽  
Vol 52 (16) ◽  
pp. 1532-1546 ◽  
Author(s):  
M. Razavy ◽  
Frederick James Kennedy
Keyword(s):  
Phase Space ◽  
Hamiltonian Dynamics ◽  
Equations Of Motion ◽  
Hamiltonian Function ◽  
Hamiltonian Operator ◽  
Classical Dynamics ◽  
Time Translation ◽  
Number Of Generators ◽  
Space Formulation ◽  
Generalized Phase Space

In an n dimensional phase space, the generator of the time translation can be written in terms of a Hamiltonian and a set of Poisson brackets for the phase space variables. When the velocity vector in this phase space is divergenceless, then the equations of motion reduce to those obtained by Nambu. The extension of the Hamiltonian dynamics to the phase space of arbitrary dimensions enables one to find a generalized Hamiltonian function for equations of motion involving time derivatives of any order (even or odd) of the coordinates. The problem of quantization of Nambu's generalized dynamics is studied, and it is shown that in certain cases, for a system moving under a set of constraints, it is possible to replace the Hamiltonian operator by an infinite number of generators of time translation functions. Some examples from classical dynamics and quantum mechanics are given to show the range of applicability of the generalized phase space formulation.

On the fitting of model electron densities into EM reconstructions: a reciprocal-space formulation

2002 ◽  
Vol 58 (10) ◽  
pp. 1820-1825 ◽  
Author(s):  
J. Navaza ◽  
J. Lepault ◽  
F. A. Rey ◽  
C. Álvarez-Rúa ◽  
J. Borge
Keyword(s):  
Reciprocal Space ◽  
Electron Densities ◽  
Space Formulation

Calculation of structure images of crystalline defects

1978 ◽  
Vol 36 (1) ◽  
pp. 282-283
Author(s):  
M.A. O'Keefe ◽  
Sumio Iijima
Keyword(s):  
Diffuse Scattering ◽  
Computing Time ◽  
Continuous Distribution ◽  
Sampling Interval ◽  
Reciprocal Space ◽  
Objective Lens ◽  
Lattice Images ◽  
Slice Method ◽  
Space Cell ◽  
Beam Lattice

We have extended the multi-slice method of computating many-beam lattice images of perfect crystals to calculations for imperfect crystals using the artificial superlattice approach. Electron waves scattered from faulted regions of crystals are distributed continuously in reciprocal space, and all these waves interact dynamically with each other to give diffuse scattering patterns.In the computation, this continuous distribution can be sampled only at a finite number of regularly spaced points in reciprocal space, and thus finer sampling gives an improved approximation. The larger cell also allows us to defocus the objective lens further before adjacent defect images overlap, producing spurious computational Fourier images. However, smaller cells allow us to sample the direct space cell more finely; since the two-dimensional arrays in our program are limited to 128X128 and the sampling interval shoud be less than 1/2Å (and preferably only 1/4Å), superlattice sizes are limited to 40 to 60Å. Apart from finding a compromis superlattice cell size, computing time must be conserved.

Time-resolved X-ray reciprocal space mapping of the crystal under external electric field

2018 ◽  
Vol 189 (02) ◽  
pp. 187-194 ◽  
Author(s):  
Nikita V. Marchenkov ◽  
Anton G. Kulikov ◽  
Ivan I. Atknin ◽  
Arsen A. Petrenko ◽  
Alexander E. Blagov ◽  
...  
Keyword(s):  
Electric Field ◽  
External Electric Field ◽  
Space Mapping ◽  
Reciprocal Space ◽  
Reciprocal Space Mapping ◽  
Time Resolved ◽  
X Ray

Ab initio structure determination of cytochrome c6 by combined reciprocal space-real space approach

2003 ◽  
Vol 218 (1) ◽  
Author(s):  
K. Chowdhury ◽  
S. Ghosh ◽  
M. Mukherjee
Keyword(s):  
Cytochrome C ◽  
Ab Initio ◽  
Structure Determination ◽  
Direct Method ◽  
Real Space ◽  
Reciprocal Space ◽  
Cytochrome C6 ◽  
Ab Initio Structure ◽  
Space Approach

AbstractThe direct method program SAYTAN has been applied successfully to redetermine the structure of cytochrome c

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