This example illustrates the conversion from spherical to cartesian multipoles for the collective T-matrix of a cluster, following Mun et al. (Describing Meta-Atoms Using the Exact Higher-Order Polarizability Tensors, ACS Photonics 2020, 7, 1153−1162).

The geometry consists of a chiral dimer of prolate spheroids, modelled as electric dipoles (higher-order terms are ignored).

This simulation uses the following input file

ModeAndScheme 2 3

MultipoleCutoff 4
Medium 1.0

OutputFormat HDF5 EE1

DumpCollectiveTmatrix collective_tmat_EE1.tmat

MultipoleSelections 1
EE1:1_MM2:1_ME2:1_EM2:1  blocks

Wavelength 520

Medium 1.7689

TmatrixFiles 1
"tmat_Au20x50_Nmax4_lambda520.tmat" 

# dimer, dihedral pi/4
Scatterers 2
TF1_S1 0 -50 0 50 0 1.963495  0.0  2.5
TF1_S1 0 50  0 50 0 1.178097  0.0  2.5

where the keyword DumpCollectiveTmatrix triggers the output of the collective T-matrix, and also a plain text file alpha_col.txt containing the cartesian components up to Lmax=3.

Show output file alpha_col.txt (click to open)
# s sp n np m mp Tr Ti
# lambda=   520.00 nelements=       900 eps_med=  1.76890000E+00
 1 1  1  1  -1  -1 -1.886950741798829E-01  3.372168692290735E-01
 1 1  1  1   0  -1  0.000000000000000E+00  0.000000000000000E+00
 1 1  1  1   1  -1  5.331769437363868E-07 -5.831219114394811E-07
 1 1  2  1  -2  -1 -1.068608091517227E-07  1.121104353672869E-07
 1 1  2  1  -1  -1  1.296045675700487E-01  1.221013755082978E-01
 1 1  2  1   0  -1  1.221013755082978E-01 -1.296045675700487E-01
 1 1  2  1   1  -1  1.055349310794707E-17 -1.055349310794707E-17
 1 1  2  1   2  -1 -1.055347887447522E-17  1.055347887447522E-17
 1 1  3  1  -3  -1 -8.362583288592518E-03  1.494476825907243E-02
 1 1  3  1  -2  -1  2.090645822148132E-03 -3.736192064768112E-03
 1 1  3  1  -1  -1 -2.615334445337679E-02 -1.463452075503693E-02
 1 1  3  1   0  -1  6.538336113344197E-03  3.658630188759231E-03
 1 1  3  1   1  -1 -5.907330409834490E-09  6.460695348430478E-09
 1 1  3  1   2  -1  2.362932163987889E-08 -2.584278139339469E-08
 1 1  3  1   3  -1 -6.917061728737001E-10 -1.546003219649640E-08
 2 1  1  1  -1  -1 -1.040274728807396E+00  1.104200143690982E+00
 2 1  1  1   0  -1  1.307950686753237E-16 -6.539753433766183E-17
 2 1  1  1   1  -1 -9.104287220294626E-07  9.551542909637882E-07
 2 1  2  1  -2  -1 -5.264257088352695E-07  5.757382595073762E-07
 2 1  2  1  -1  -1 -3.329469353676902E-01 -1.863057646279645E-01
 2 1  2  1   0  -1 -1.863057646279645E-01  3.329469353676902E-01
 2 1  2  1   1  -1  4.517015066836030E-17 -8.357029278346330E-17
 2 1  2  1   2  -1 -3.925779419521626E-17  1.486063278558226E-16
 2 1  3  1  -3  -1 -9.691746409354297E-02  1.028730919003892E-01
 2 1  3  1  -2  -1  2.422936602338577E-02 -2.571827297509732E-02
 2 1  3  1  -1  -1 -1.800279108256813E-01 -1.696055621637004E-01
 2 1  3  1   0  -1  4.500697770642033E-02  4.240139054092510E-02
 2 1  3  1   1  -1  2.120508182316433E-08 -2.224679912448172E-08
 2 1  3  1   2  -1 -8.482032729725004E-08  8.898719649309515E-08
 2 1  3  1   3  -1  1.302146622439646E-09  5.431485117894488E-08
 1 1  1  1  -1   0  1.156076000076019E-17 -5.780380000380096E-18
 1 1  1  1   0   0 -5.780380000380096E-18 -1.156076000076019E-17
 1 1  1  1   1   0 -4.624308988558330E-17  1.849721724384866E-16
 1 1  2  1  -2   0  1.583022187008079E-17 -1.846859514706755E-17
 1 1  2  1  -1   0 -3.731219246037090E-18  0.000000000000000E+00
 1 1  2  1   0   0  0.000000000000000E+00  3.731219246037090E-18
 1 1  2  1   1   0  3.558367972111236E-24  3.558367957198288E-24
 1 1  2  1   2   0 -3.558367955541295E-24 -3.558367970454243E-24
 1 1  3  1  -3   0  2.775128132486140E-18  0.000000000000000E+00
 1 1  3  1  -2   0 -4.138910694376600E-19  0.000000000000000E+00
 1 1  3  1  -1   0  0.000000000000000E+00  6.208366041564901E-18
 1 1  3  1   0   0  0.000000000000000E+00 -2.086422583416570E-18
 1 1  3  1   1   0 -1.177778645231763E-19 -1.982805981812116E-18
 1 1  3  1   2   0 -2.585748373237564E-18  6.038094426892709E-18
 1 1  3  1   3   0  1.233984838288646E-18  2.776466198200864E-18
 2 1  1  1  -1   0 -4.624304000304077E-17  0.000000000000000E+00
 2 1  1  1   0   0  0.000000000000000E+00  1.387291200091223E-16
 2 1  1  1   1   0  1.156075999780605E-16 -1.849721100705378E-16
 2 1  2  1  -2   0  6.332087324685129E-17 -1.371952680685934E-16
 2 1  2  1  -1   0  0.000000000000000E+00  0.000000000000000E+00
 2 1  2  1   0   0  0.000000000000000E+00  0.000000000000000E+00
 2 1  2  1   1   0  7.597285060242380E-18  2.956208047704684E-18
 2 1  2  1   2   0 -1.350964422176434E-17  2.956151113817266E-18
 2 1  3  1  -3   0  4.550575963827867E-18  2.759273796251066E-19
 2 1  3  1  -2   0 -1.103709518500427E-18 -1.103709518500427E-18
 2 1  3  1  -1   0 -3.421499507351323E-17 -3.642241411051409E-17
 2 1  3  1   0   0  8.553748768378308E-18  4.830954943425761E-18
 2 1  3  1   1   0 -5.698810653007780E-18  3.348619752514183E-18
 2 1  3  1   2   0  1.651291560405074E-17 -1.145919664267537E-17
 2 1  3  1   3   0  1.850977465467242E-18 -1.048887008528212E-17
 1 1  1  1  -1   1  5.331769435976577E-07 -5.831219117631823E-07
 1 1  1  1   0   1  9.248605503526888E-17 -9.248608621924331E-17
 1 1  1  1   1   1 -1.820228948106806E+00  2.121583508794864E+00
 1 1  2  1  -2   1  2.048951910076618E-01 -2.134559774815051E-01
 1 1  2  1  -1   1  1.121104354522661E-07  1.068608090709508E-07
 1 1  2  1   0   1  1.068608090709508E-07 -1.121104354522661E-07
 1 1  2  1   1   1 -2.984975396829672E-17  2.984975396829672E-17
 1 1  2  1   2   1 -2.984975396829672E-17  2.984975396829672E-17
 1 1  3  1  -3   1  2.362932164005395E-08 -2.584278140661144E-08
 1 1  3  1  -2   1 -5.907330408870277E-09  6.460695351780464E-09
 1 1  3  1  -1   1  4.522486745363359E-08  4.135131287092162E-08
 1 1  3  1   0   1 -1.130621686768305E-08 -1.033782820918111E-08
 1 1  3  1   1   1  2.016721455105525E-02 -2.350607040633590E-02
 1 1  3  1   2   1 -8.066885820422105E-02  9.402428162534367E-02
 1 1  3  1   3   1  4.173569819100814E-03  5.459160619673896E-02
 2 1  1  1  -1   1 -9.104287212895740E-07  9.551542922354717E-07
 2 1  1  1   0   1  0.000000000000000E+00 -3.699442825090244E-16
 2 1  1  1   1   1  1.745658379130677E+00 -1.818594247300699E+00
 2 1  2  1  -2   1  1.797180702511145E+00 -2.094719427870725E+00
 2 1  2  1  -1   1  5.757382597114354E-07  5.264257087780018E-07
 2 1  2  1   0   1  5.264257087780018E-07 -5.757382597114354E-07
 2 1  2  1   1   1  0.000000000000000E+00 -1.193990158731869E-16
 2 1  2  1   2   1  0.000000000000000E+00 -1.193990158731869E-16
 2 1  3  1  -3   1 -8.482032724624053E-08  8.898719657728597E-08
 2 1  3  1  -2   1  2.120508181489009E-08 -2.224679914400493E-08
 2 1  3  1  -1   1 -1.557275940433533E-07 -1.484355724923185E-07
 2 1  3  1   0   1  3.893189840824675E-08  3.710889322567119E-08
 2 1  3  1   1   1 -4.065867856680242E-02  4.235745082108069E-02
 2 1  3  1   2   1  1.626347142672098E-01 -1.694298032843229E-01
 2 1  3  1   3   1 -2.123465317847832E-03 -1.037701617348540E-01
 1 1  1  2  -1  -2 -1.068608091438075E-07  1.121104353910322E-07
 1 1  1  2   0  -2 -1.319185215146198E-17  1.055348599121114E-17
 1 1  1  2   1  -2  2.048951910076699E-01 -2.134559774815093E-01
 1 1  2  2  -2  -2 -2.352492637784630E-02  3.222612457096621E-02
 1 1  2  2  -1  -2  1.896865621699612E-08  1.866015588669174E-08
 1 1  2  2   0  -2  1.866015588669174E-08 -1.896865621699612E-08
 1 1  2  2   1  -2  3.406121580086554E-18 -3.406121580086554E-18
 1 1  2  2   2  -2  3.406121580086554E-18 -3.406121580086554E-18
 1 1  3  2  -3  -2 -4.735854502996335E-09  4.968507298977868E-09
 1 1  3  2  -2  -2  1.183963625762962E-09 -1.242126824785241E-09
 1 1  3  2  -1  -2 -8.694887772489144E-09 -8.287745381348279E-09
 1 1  3  2   0  -2  2.173721944463668E-09  2.071936343873744E-09
 1 1  3  2   1  -2 -2.270134909033806E-03  2.364984085959350E-03
 1 1  3  2   2  -2  9.080539636135225E-03 -9.459936343837405E-03
 1 1  3  2   3  -2 -1.185614711569311E-04 -5.793898743741446E-03
 2 1  1  2  -1  -2 -1.589800976870774E-07  1.616084472388823E-07
 2 1  1  2   0  -2 -1.055347887447522E-17  6.332088748032315E-17
 2 1  1  2   1  -2 -2.004267872171981E-01  2.745589298975354E-01
 2 1  2  2  -2  -2 -2.023007510672292E-01  2.107531384798704E-01
 2 1  2  2  -1  -2 -1.106908618413093E-07 -1.055077078398270E-07
 2 1  2  2   0  -2 -1.055077078398270E-07  1.106908618413093E-07
 2 1  2  2   1  -2  1.362448632034622E-17  2.724897264069244E-17
 2 1  2  2   2  -2 -1.362448632034622E-17 -2.724897264069244E-17
 2 1  3  2  -3  -2 -1.481142190512427E-08  1.505629277326070E-08
 2 1  3  2  -2  -2  3.702855476870151E-09 -3.764073193767436E-09
 2 1  3  2  -1  -2 -2.634851235234188E-08 -2.591998836428721E-08
 2 1  3  2   0  -2  6.587128093938774E-09  6.479997078389644E-09
 2 1  3  2   1  -2  4.668203363878758E-03 -6.394838424175695E-03
 2 1  3  2   2  -2 -1.867281345551504E-02  2.557935369670281E-02
 2 1  3  2   3  -2  2.158293825371174E-03  1.382880223506808E-02
 1 1  1  2  -1  -1 -1.296045675700463E-01 -1.221013755082987E-01
 1 1  1  2   0  -1  0.000000000000000E+00  0.000000000000000E+00
 1 1  1  2   1  -1 -1.121104354074914E-07 -1.068608091903499E-07
 1 1  2  2  -2  -1 -1.896865622295683E-08 -1.866015586540348E-08
 1 1  2  2  -1  -1 -8.062543824498013E-02  9.027065470988266E-02
 1 1  2  2   0  -1  9.027065470988266E-02  8.062543824498013E-02
 1 1  2  2   1  -1  6.812241536007774E-18 -1.624165334742810E-24
 1 1  2  2   2  -1 -6.812244784338443E-18 -1.624165334742810E-24
 1 1  3  2  -3  -1 -5.743811785215986E-03 -5.411285518595372E-03
 1 1  3  2  -2  -1  1.435952946303998E-03  1.352821379648844E-03
 1 1  3  2  -1  -1  9.469749657541909E-03 -1.005167062412799E-02
 1 1  3  2   0  -1 -2.367437414385477E-03  2.512917656031996E-03
 1 1  3  2   1  -1  1.242126825203913E-09  1.183963625840045E-09
 1 1  3  2   2  -1 -4.968507299923318E-09 -4.735854504266896E-09
 1 1  3  2   3  -1 -3.032613064605077E-09  7.270399875507246E-11
 2 1  1  2  -1  -1 -7.690845451712842E-01 -6.869095909535791E-01
 2 1  1  2   0  -1  0.000000000000000E+00  0.000000000000000E+00
 2 1  1  2   1  -1 -1.616084473099434E-07 -1.589800975353605E-07
 2 1  2  2  -2  -1  1.106908618617460E-07  1.055077078500453E-07
 2 1  2  2  -1  -1  1.205552939050967E-01 -1.279634784604698E-01
 2 1  2  2   0  -1 -1.279634784604698E-01 -1.205552939050967E-01
 2 1  2  2   1  -1  3.406120930420421E-17  1.253685425894369E-17
 2 1  2  2   2  -1 -3.406122229752688E-17 -1.087632061402531E-18
 2 1  3  2  -3  -1 -7.165196051334355E-02 -6.399610965564434E-02
 2 1  3  2  -2  -1  1.791299012833590E-02  1.599902741391110E-02
 2 1  3  2  -1  -1  1.119931918973777E-01 -1.253909308983513E-01
 2 1  3  2   0  -1 -2.799829797434443E-02  3.134773272458784E-02
 2 1  3  2   1  -1  3.764073193128663E-09  3.702855475563941E-09
 2 1  3  2   2  -1 -1.505629277727996E-08 -1.481142189342683E-08
 2 1  3  2   3  -1 -9.333660831663712E-09  7.652215035446187E-11
 1 1  1  2  -1   0  1.221013755082987E-01 -1.296045675700463E-01
 1 1  1  2   0   0  0.000000000000000E+00  0.000000000000000E+00
 1 1  1  2   1   0  1.068608091903499E-07 -1.121104354074914E-07
 1 1  2  2  -2   0  1.866015586540348E-08 -1.896865622295683E-08
 1 1  2  2  -1   0 -9.027065470988266E-02 -8.062543824498013E-02
 1 1  2  2   0   0 -8.062543824498013E-02  9.027065470988266E-02
 1 1  2  2   1   0  1.624165334742810E-24  6.812241536007774E-18
 1 1  2  2   2   0  1.624165334742810E-24 -6.812244784338443E-18
 1 1  3  2  -3   0  5.411285518595372E-03 -5.743811785215986E-03
 1 1  3  2  -2   0 -1.352821379648844E-03  1.435952946303998E-03
 1 1  3  2  -1   0  1.005167062412799E-02  9.469749657541909E-03
 1 1  3  2   0   0 -2.512917656031996E-03 -2.367437414385477E-03
 1 1  3  2   1   0 -1.183963625840045E-09  1.242126825203913E-09
 1 1  3  2   2   0  4.735854504266896E-09 -4.968507299923318E-09
 1 1  3  2   3   0 -7.270399875507246E-11 -3.032613064605077E-09
 2 1  1  2  -1   0  6.869095909535791E-01 -7.690845451712842E-01
 2 1  1  2   0   0  0.000000000000000E+00  0.000000000000000E+00
 2 1  1  2   1   0  1.589800975353605E-07 -1.616084473099434E-07
 2 1  2  2  -2   0 -1.055077078500453E-07  1.106908618617460E-07
 2 1  2  2  -1   0  1.279634784604698E-01  1.205552939050967E-01
 2 1  2  2   0   0  1.205552939050967E-01 -1.279634784604698E-01
 2 1  2  2   1   0 -1.253685425894369E-17  3.406120930420421E-17
 2 1  2  2   2   0  1.087632061402531E-18 -3.406122229752688E-17
 2 1  3  2  -3   0  6.399610965564434E-02 -7.165196051334355E-02
 2 1  3  2  -2   0 -1.599902741391110E-02  1.791299012833590E-02
 2 1  3  2  -1   0  1.253909308983513E-01  1.119931918973777E-01
 2 1  3  2   0   0 -3.134773272458784E-02 -2.799829797434443E-02
 2 1  3  2   1   0 -3.702855475563941E-09  3.764073193128663E-09
 2 1  3  2   2   0  1.481142189342683E-08 -1.505629277727996E-08
 2 1  3  2   3   0 -7.652215035446187E-11 -9.333660831663712E-09
 1 1  1  2  -1   1 -7.915121357484219E-18  2.110697351231714E-17
 1 1  1  2   0   1  0.000000000000000E+00  2.638370430966583E-18
 1 1  1  2   1   1  2.984975396829672E-17 -2.984975396829672E-17
 1 1  2  2  -2   1 -6.812243160173109E-18 -1.703060790043277E-18
 1 1  2  2  -1   1  7.663771931029412E-18  8.515287708563038E-19
 1 1  2  2   0   1  8.515287708563038E-19 -7.663771931029412E-18
 1 1  2  2   1   1 -5.294176444038596E-33  0.000000000000000E+00
 1 1  2  2   2   1 -5.294176444038596E-33 -3.781554602884712E-34
 1 1  3  2  -3   1 -3.973177329737507E-19  7.788920905276072E-19
 1 1  3  2  -2   1  1.259431618202795E-19 -1.889146826760971E-19
 1 1  3  2  -1   1 -1.322402778732680E-18 -8.816021327419565E-19
 1 1  3  2   0   1  3.306006946831699E-19  9.845670740552176E-20
 1 1  3  2   1   1 -1.611208066789006E-19  1.421144932037612E-19
 1 1  3  2   2   1  1.033679795096175E-18 -1.450952975829673E-18
 1 1  3  2   3   1  0.000000000000000E+00 -5.974003008875378E-19
 2 1  1  2  -1   1 -1.055346159469740E-17  4.221390676629640E-17
 2 1  1  2   0   1 -2.110696344773267E-17  1.055348172386633E-17
 2 1  1  2   1   1 -5.969950793659344E-17  1.492487698414836E-17
 2 1  2  2  -2   1 -3.406121580086555E-17  2.724897264069244E-17
 2 1  2  2  -1   1 -1.703061439709411E-17 -6.812249656834448E-18
 2 1  2  2   0   1 -6.812249656834448E-18  1.703061439709411E-17
 2 1  2  2   1   1  1.908205714114282E-18  6.812243160173109E-18
 2 1  2  2   2   1  1.908205714114284E-18 -6.812243160173110E-18
 2 1  3  2  -3   1  9.904118796240920E-25  5.066666543299945E-18
 2 1  3  2  -2   1 -2.402172883948255E-25 -7.556577698352345E-19
 2 1  3  2  -1   1  7.556616133118493E-19  4.030179016293348E-18
 2 1  3  2   0   1  7.866352029117767E-19 -1.007544754073337E-18
 2 1  3  2   1   1  1.517042215132877E-18  0.000000000000000E+00
 2 1  3  2   2   1 -3.262160191967426E-18  0.000000000000000E+00
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 2 2  3  3  -3   2 -1.175650515021140E-08  1.195087040415297E-08
 2 2  3  3  -2   2  2.939126287362166E-09 -2.987717601134188E-09
 2 2  3  3  -1   2 -2.091402320973431E-08 -2.057388402073705E-08
 2 2  3  3   0   2  5.228505806714221E-09  5.143470997666164E-09
 2 2  3  3   1   2  3.705367200137115E-03 -5.075876670340485E-03
 2 2  3  3   2   2 -1.482146880054847E-02  2.030350668136196E-02
 2 2  3  3   3   2  1.713136837754215E-03  1.097655483809701E-02
 1 2  1  3  -1   3 -5.431485119066773E-08  1.302146625524610E-09
 1 2  1  3   0   3 -6.169923566590565E-18  0.000000000000000E+00
 1 2  1  3   1   3  1.037701617348539E-01 -2.123465317847820E-03
 1 2  2  3  -2   3 -1.382880223506773E-02  2.158293825371322E-03
 1 2  2  3  -1   3  7.652215234579612E-11  9.333660837637716E-09
 1 2  2  3   0   3  9.333660837637716E-09 -7.652215234579612E-11
 1 2  2  3   1   3  1.724546152171267E-18  0.000000000000000E+00
 1 2  2  3   2   3  1.724546152171267E-18  0.000000000000000E+00
 1 2  3  3  -3   3 -2.407124133319448E-09  5.770849942463933E-11
 1 2  3  3  -2   3  6.017810333394261E-10 -1.442712487701927E-11
 1 2  3  3  -1   3 -1.009898737857079E-10 -4.212467233493793E-09
 1 2  3  3   0   3  2.524746878863101E-11  1.053116808145312E-09
 1 2  3  3   1   3 -1.149720818296637E-03  2.352691989728815E-05
 1 2  3  3   2   3  4.598883273186550E-03 -9.410767958915207E-05
 1 2  3  3   3   3  1.407742372999187E-03 -1.466559672742407E-03
 2 2  1  3  -1   3 -7.952057425717365E-08  6.519505735026546E-10
 2 2  1  3   0   3  0.000000000000000E+00  0.000000000000000E+00
 2 2  1  3   1   3 -1.178181116709762E-01  1.838815094857053E-02
 2 2  2  3  -2   3 -1.024561950628845E-01  2.096577408933712E-03
 2 2  2  3  -1   3 -1.285658482319091E-09 -5.362710142802904E-08
 2 2  2  3   0   3 -5.362710142802904E-08  1.285658482319091E-09
 2 2  2  3   1   3 -3.966456149993915E-18  0.000000000000000E+00
 2 2  2  3   2   3 -3.966456149993915E-18  0.000000000000000E+00
 2 2  3  3  -3   3 -7.408554861709137E-09  6.073914350831558E-11
 2 2  3  3  -2   3  1.852138715561866E-09 -1.518478608040604E-11
 2 2  3  3  -1   3 -1.062935053902567E-10 -1.296497100987554E-08
 2 2  3  3   0   3  2.657337954146871E-11  3.241242751100069E-09
 2 2  3  3   1   3  2.744138709524249E-03 -4.282842094385538E-04
 2 2  3  3   2   3 -1.097655483809701E-02  1.713136837754216E-03
 2 2  3  3   3   3 -2.894818125107122E-03  3.965528648703506E-03

We compare below the matrix elements in the spherical basis and in the cartesian basis. The T-matrix of the original particle (electric dipole only term) is shown for reference.


Last run: 05 December, 2023