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-25.0456392620877 eigenwert von 5 Zustand -2.98808185522389 1 1.42E+01 6.209167E-01 -9.948920E+00 -2.414449E+01 8.41E-01 -1.00E+00 0.000000E+00 1.013341E+00 NOMBRE D ITERATIONS SUPERIEUR A 1 1 Fe RADII AND CHARGE DENS. ALTERNATELY 0.10000000D-03 0.18702531D-02 0.10130036D-03 0.19181765D-02 0.10261763D-03 0.19673261D-02 0.10395203D-03 0.20177332D-02 0.10530379D-03 0.20694299D-02 0.10667312D-03 0.21224492D-02 0.10806025D-03 0.21768248D-02 0.10946543D-03 0.22325914D-02 0.11088887D-03 0.22897843D-02 0.11233083D-03 0.23484401D-02 0.11379154D-03 0.24085960D-02 0.11527124D-03 0.24702903D-02 0.11677018D-03 0.25335623D-02 0.11828862D-03 0.25984522D-02 0.11982680D-03 0.26650013D-02 0.12138498D-03 0.27332518D-02 0.12296342D-03 0.28032472D-02 0.12456239D-03 0.28750320D-02 0.12618215D-03 0.29486518D-02 0.12782298D-03 0.30241534D-02 0.12948514D-03 0.31015847D-02 0.13116891D-03 0.31809949D-02 0.13287458D-03 0.32624345D-02 0.13460243D-03 0.33459552D-02 0.13635275D-03 0.34316100D-02 0.13812583D-03 0.35194532D-02 0.13992197D-03 0.36095407D-02 0.14174146D-03 0.37019296D-02 0.14358461D-03 0.37966785D-02 0.14545173D-03 0.38938474D-02 0.14734313D-03 0.39934981D-02 0.14925912D-03 0.40956938D-02 0.15120003D-03 0.42004991D-02 0.15316618D-03 0.43079806D-02 0.15515789D-03 0.44182063D-02 0.15717550D-03 0.45312461D-02 0.15921935D-03 0.46471715D-02 0.16128978D-03 0.47660561D-02 0.16338713D-03 0.48879751D-02 0.16551176D-03 0.50130056D-02 0.16766401D-03 0.51412268D-02 0.16984425D-03 0.52727198D-02 0.17205284D-03 0.54075678D-02 0.17429015D-03 0.55458561D-02 0.17655655D-03 0.56876722D-02 0.17885242D-03 0.58331057D-02 0.18117815D-03 0.59822485D-02 0.18353412D-03 0.61351948D-02 0.18592073D-03 0.62920414D-02 0.18833837D-03 0.64528872D-02 0.19078745D-03 0.66178338D-02 0.19326838D-03 0.67869854D-02 0.19578157D-03 0.69604487D-02 0.19832743D-03 0.71383332D-02 0.20090641D-03 0.73207510D-02 0.20351892D-03 0.75078172D-02 0.20616540D-03 0.76996498D-02 0.20884630D-03 0.78963697D-02 0.21156205D-03 0.80981007D-02 0.21431313D-03 0.83049701D-02 0.21709997D-03 0.85171081D-02 0.21992306D-03 0.87346482D-02 0.22278285D-03 0.89577274D-02 0.22567983D-03 0.91864861D-02 0.22861449D-03 0.94210681D-02 0.23158730D-03 0.96616210D-02 0.23459878D-03 0.99082959D-02 0.23764941D-03 0.10161248D-01 0.24073971D-03 0.10420636D-01 0.24387020D-03 0.10686623D-01 0.24704139D-03 0.10959377D-01 0.25025382D-03 0.11239067D-01 0.25350803D-03 0.11525870D-01 0.25680455D-03 0.11819966D-01 0.26014394D-03 0.12121539D-01 0.26352675D-03 0.12430777D-01 0.26695355D-03 0.12747876D-01 0.27042491D-03 0.13073033D-01 0.27394142D-03 0.13406453D-01 0.27750364D-03 0.13748343D-01 0.28111220D-03 0.14098918D-01 0.28476767D-03 0.14458397D-01 0.28847068D-03 0.14827004D-01 0.29222184D-03 0.15204971D-01 0.29602178D-03 0.15592534D-01 0.29987114D-03 0.15989933D-01 0.30377055D-03 0.16397419D-01 0.30772066D-03 0.16815244D-01 0.31172215D-03 0.17243670D-01 0.31577566D-03 0.17682963D-01 0.31988189D-03 0.18133398D-01 0.32404151D-03 0.18595254D-01 0.32825522D-03 0.19068821D-01 0.33252373D-03 0.19554392D-01 0.33684774D-03 0.20052270D-01 0.34122798D-03 0.20562764D-01 0.34566517D-03 0.21086192D-01 0.35016007D-03 0.21622878D-01 0.35471342D-03 0.22173157D-01 0.35932598D-03 0.22737370D-01 0.36399851D-03 0.23315867D-01 0.36873181D-03 0.23909006D-01 0.37352666D-03 0.24517156D-01 0.37838386D-03 0.25140694D-01 0.38330421D-03 0.25780004D-01 0.38828856D-03 0.26435484D-01 0.39333771D-03 0.27107539D-01 0.39845252D-03 0.27796584D-01 0.40363385D-03 0.28503045D-01 0.40888255D-03 0.29227359D-01 0.41419950D-03 0.29969972D-01 0.41958559D-03 0.30731343D-01 0.42504172D-03 0.31511942D-01 0.43056880D-03 0.32312249D-01 0.43616775D-03 0.33132757D-01 0.44183951D-03 0.33973972D-01 0.44758502D-03 0.34836411D-01 0.45340525D-03 0.35720604D-01 0.45930116D-03 0.36627095D-01 0.46527373D-03 0.37556441D-01 0.47132398D-03 0.38509212D-01 0.47745289D-03 0.39485991D-01 0.48366151D-03 0.40487379D-01 0.48995086D-03 0.41513988D-01 0.49632199D-03 0.42566447D-01 0.50277597D-03 0.43645399D-01 0.50931388D-03 0.44751505D-01 0.51593680D-03 0.45885441D-01 0.52264584D-03 0.47047897D-01 0.52944213D-03 0.48239584D-01 0.53632679D-03 0.49461228D-01 0.54330098D-03 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-.351E+00 -.347E+00 -.342E+00 -.338E+00 -.334E+00 -.329E+00 -.325E+00 -.321E+00 -.317E+00 -.313E+00 -.309E+00 -.305E+00 -.301E+00 -.297E+00 -.294E+00 -.290E+00 -.286E+00 -.283E+00 -.279E+00 -.276E+00 -.272E+00 -.269E+00 -.265E+00 -.262E+00 -.259E+00 -.255E+00 -.252E+00 -.249E+00 -.246E+00 -.243E+00 -.239E+00 -.236E+00 -.233E+00 1 Se ITER DVMAX R VN-1 VN DEMAX DPMAX PN-1 PN eigenwert von 1 Zustand -459.033531312460 eigenwert von 2 Zustand -58.6653135608695 eigenwert von 3 Zustand -52.5892535666126 eigenwert von 4 Zustand -51.0545430609381 eigenwert von 5 Zustand -7.47100099283315 eigenwert von 6 Zustand -5.39332767791175 eigenwert von 7 Zustand -5.17752687070683 1 1.53E+01 7.895837E-01 -6.226100E+00 -2.150768E+01 8.39E-01 -1.00E+00 0.000000E+00 1.004224E+00 NOMBRE D ITERATIONS SUPERIEUR A 1 1 Se RADII AND CHARGE DENS. ALTERNATELY 0.10000000D-03 0.49150077D-02 0.10128472D-03 0.50376366D-02 0.10258595D-03 0.51633193D-02 0.10390390D-03 0.52921314D-02 0.10523878D-03 0.54241508D-02 0.10659081D-03 0.55594569D-02 0.10796021D-03 0.56981314D-02 0.10934720D-03 0.58402579D-02 0.11075201D-03 0.59859220D-02 0.11217487D-03 0.61352116D-02 0.11361601D-03 0.62882164D-02 0.11507566D-03 0.64450287D-02 0.11655406D-03 0.66057430D-02 0.11805146D-03 0.67704559D-02 0.11956810D-03 0.69392667D-02 0.12110422D-03 0.71122769D-02 0.12266008D-03 0.72895907D-02 0.12423592D-03 0.74713146D-02 0.12583201D-03 0.76575580D-02 0.12744860D-03 0.78484330D-02 0.12908597D-03 0.80440541D-02 0.13074437D-03 0.82445391D-02 0.13242407D-03 0.84500084D-02 0.13412536D-03 0.86605854D-02 0.13584850D-03 0.88763966D-02 0.13759378D-03 0.90975716D-02 0.13936148D-03 0.93242432D-02 0.14115189D-03 0.95565474D-02 0.14296530D-03 0.97946236D-02 0.14480201D-03 0.10038615D-01 0.14666232D-03 0.10288667D-01 0.14854653D-03 0.10544930D-01 0.15045494D-03 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0.32773387D-03 0.24592908D+01 0.26820556D-03 0.24908859D+01 0.21894332D-03 0.25228869D+01 0.17827928D-03 0.25552990D+01 0.14479833D-03 0.25881276D+01 0.11730284D-03 0.26213779D+01 0.94781902D-04 0.26550554D+01 0.76384443D-04 0.26891656D+01 0.61395882D-04 0.27237139D+01 0.49217848D-04 0.27587062D+01 0.39350652D-04 0.27941479D+01 0.31378174D-04 0.28300450D+01 0.24954855D-04 0.28664033D+01 0.19794549D-04 0.29032287D+01 0.15660995D-04 0.29405272D+01 0.12359686D-04 0.29783049D+01 0.97309702D-05 0.30165679D+01 0.76441838D-05 0.30553225D+01 0.59927681D-05 0.30945750D+01 0.46899410D-05 0.31343318D+01 0.36656673D-05 0.31745993D+01 0.28621298D-05 0.32153842D+01 0.22386551D-05 0.32566930D+01 0.17418761D-05 0.32985325D+01 0.13771245D-05 0.33409096D+01 0.10585534D-05 0.33838311D+01 0.80143959D-06 0.34273040D+01 0.60464303D-06 0.34713354D+01 0.45454555D-06 0.35159325D+01 0.34047516D-06 ENERGIE (R4) (R2) (R) (R-1) (R-3) 2 1 > COR 0.1292368E+01 0.0000000E+00 0.0000000E+00 -0.1292368E+01 1S -4.5903353E+02 1.7630818E-05 2.6161238E-03 4.4080143E-02 3.4563067E+01 2S -5.8665314E+01 3.5434162E-03 4.5212722E-02 1.9567373E-01 7.6849917E+00 2P* -5.2589254E+01 2.4546055E-03 3.4861754E-02 1.6850242E-01 7.6501025E+00 2P -5.1054543E+01 2.6429439E-03 3.6320339E-02 1.7229794E-01 7.4136171E+00 1.1772984E+03 3S -7.4710010E+00 2.3001941E-01 3.7938076E-01 5.7390701E-01 2.4990120E+00 3P* -5.3933277E+00 2.7132528E-01 3.9825209E-01 5.8243577E-01 2.3780480E+00 3P -5.1775269E+00 2.9134715E-01 4.1267624E-01 5.9298953E-01 2.3213716E+00 1.6700935E+02 0 ET=-1.9100677E+03 EC= 2.6609622E+03 EE= 5.3943050E+02 EX=-6.1787853E+01 EN=-5.0486725E+03 1 Se 0 INTEGRALES DE RECOUVREMENT 2S 1S 0.0000000 3S 1S 0.0000000 3S 2S 0.0000000 3P* 2P* 0.0000000 3P 2P 0.0000000