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38 \pdf_author "Marek Nečada"
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98 \begin_inset CommandInset label
100 name "sec:Introduction"
107 \begin_layout Standard
108 The problem of electromagnetic response of a system consisting of many compact
109 scatterers in various geometries, and its numerical solution, is relevant
110 to many branches of nanophotonics (TODO refs).
111 The most commonly used general approaches used in computational electrodynamics
112 , such as the finite difference time domain (FDTD) method or the finite
113 element method (FEM), are very often unsuitable for simulating systems
114 with larger number of scatterers due to their computational complexity.
115 Therefore, a common (frequency-domain) approach to get an approximate solution
116 of the scattering problem for many small particles has been the coupled
117 dipole approximation (CDA) where individual scatterers are reduced to electric
118 dipoles (characterised by a polarisability tensor) and coupled to each
119 other through Green's functions.
123 \begin_layout Standard
124 CDA is easy to implement and has favorable computational complexity but
125 suffers from at least two fundamental drawbacks.
126 The obvious one is that the dipole approximation is too rough for particles
127 with diameter larger than a small fraction of the wavelength.
128 The other one, more subtle, manifests itself in photonic crystal-like structure
129 s used in nanophotonics: there are modes in which the particles' electric
130 dipole moments completely vanish due to symmetry, regardless of how small
131 the particles are, and the excitations have quadrupolar or higher-degree
132 multipolar character.
133 These modes typically appear at the band edges where interesting phenomena
134 such as lasing or Bose-Einstein condensation have been observed – and CDA
135 by definition fails to capture such modes.
138 \begin_layout Standard
139 The natural way to overcome both limitations of CDA mentioned above is to
140 include higher multipoles into account.
141 Instead of polarisability tensor, the scattering properties of an individual
142 particle are then described a more general
143 \begin_inset Formula $T$
146 -matrix, and different particles' multipole excitations are coupled together
147 via translation operators, a generalisation of the Green's functions in
149 This is the idea behind the
152 \begin_inset Formula $T$
157 (MSTMM) (TODO a.k.a something??), and it has been implemented previously for
158 a limited subset of problems (TODO refs and list the limitations of the
161 \begin_inset Note Note
164 \begin_layout Plain Layout
165 TODO přestože blablaba, moc se to nepoužívalo, protože je težké udělat to
171 Due to the limitations of the existing available codes, we have been developing
172 our own implementation of MSTMM, which we have used in several previous
173 works studying various physical phenomena in plasmonic nanoarrays (TODO
178 \begin_layout Standard
179 Hereby we release our MSTMM implementation, the
181 QPMS Photonic Multiple Scattering
183 suite, as an open source software under the GNU General Public License
185 (TODO refs to the code repositories.) QPMS allows for linear optics simulations
186 of arbitrary sets of compact scatterers in isotropic media.
187 The features include computations of electromagnetic response to external
188 driving, the related cross sections, and finding resonances of finite structure
190 Moreover, in QPMS we extensively employ group theory to exploit the physical
191 symmetries of the system to further reduce the demands on computational
192 resources, enabling to simulate even larger systems.
194 \begin_inset Note Note
197 \begin_layout Plain Layout
198 (TODO put a specific example here of how large system we are able to simulate?)
203 Although systems of large
207 number of scatterers are the area where MSTMM excels the most—simply because
208 other methods fail due to their computational complexity—we also extended
209 the method onto infinite periodic systems (photonic crystals); this can
210 be used for quickly evaluating dispersions of such structures and also
211 their topological invariants (TODO).
212 The QPMS suite contains a core C library, Python bindings and several utilities
213 for routine computations, such as TODO.
214 It includes extensive Doxygen documentation, together with description
215 of the API, making extending and customising the code easy.
218 \begin_layout Standard
219 The current paper is organised as follows: Section
220 \begin_inset CommandInset ref
222 reference "sec:Finite"
226 is devoted to MSTMM theory for finite systems, in Section
227 \begin_inset CommandInset ref
229 reference "sec:Infinite"
233 we develop the theory for infinite periodic structures.
235 \begin_inset CommandInset ref
237 reference "sec:Applications"
241 demonstrates some basic practical results that can be obtained using QPMS.
243 \begin_inset CommandInset ref
245 reference "sec:Comparison"
249 we comment on the computational complexity of MSTMM in comparison to other