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-25.0852507039706 eigenwert von 5 Zustand -3.02884613750324 1 1.42E+01 6.209167E-01 -9.992108E+00 -2.414383E+01 8.39E-01 -1.00E+00 0.000000E+00 1.013403E+00 NOMBRE D ITERATIONS SUPERIEUR A 1 1 Fe RADII AND CHARGE DENS. 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0.42005149D-02 0.15316618D-03 0.43079968D-02 0.15515789D-03 0.44182229D-02 0.15717550D-03 0.45312631D-02 0.15921935D-03 0.46471890D-02 0.16128978D-03 0.47660740D-02 0.16338713D-03 0.48879934D-02 0.16551176D-03 0.50130244D-02 0.16766401D-03 0.51412461D-02 0.16984425D-03 0.52727396D-02 0.17205284D-03 0.54075881D-02 0.17429015D-03 0.55458770D-02 0.17655655D-03 0.56876936D-02 0.17885242D-03 0.58331276D-02 0.18117815D-03 0.59822710D-02 0.18353412D-03 0.61352179D-02 0.18592073D-03 0.62920650D-02 0.18833837D-03 0.64529115D-02 0.19078745D-03 0.66178587D-02 0.19326838D-03 0.67870109D-02 0.19578157D-03 0.69604749D-02 0.19832743D-03 0.71383600D-02 0.20090641D-03 0.73207785D-02 0.20351892D-03 0.75078455D-02 0.20616540D-03 0.76996788D-02 0.20884630D-03 0.78963994D-02 0.21156205D-03 0.80981312D-02 0.21431313D-03 0.83050014D-02 0.21709997D-03 0.85171401D-02 0.21992306D-03 0.87346811D-02 0.22278285D-03 0.89577611D-02 0.22567983D-03 0.91865206D-02 0.22861449D-03 0.94211035D-02 0.23158730D-03 0.96616573D-02 0.23459878D-03 0.99083332D-02 0.23764941D-03 0.10161286D-01 0.24073971D-03 0.10420676D-01 0.24387020D-03 0.10686664D-01 0.24704139D-03 0.10959418D-01 0.25025382D-03 0.11239109D-01 0.25350803D-03 0.11525914D-01 0.25680455D-03 0.11820010D-01 0.26014394D-03 0.12121584D-01 0.26352675D-03 0.12430824D-01 0.26695355D-03 0.12747924D-01 0.27042491D-03 0.13073083D-01 0.27394142D-03 0.13406503D-01 0.27750364D-03 0.13748395D-01 0.28111220D-03 0.14098971D-01 0.28476767D-03 0.14458451D-01 0.28847068D-03 0.14827060D-01 0.29222184D-03 0.15205029D-01 0.29602178D-03 0.15592592D-01 0.29987114D-03 0.15989994D-01 0.30377055D-03 0.16397481D-01 0.30772066D-03 0.16815307D-01 0.31172215D-03 0.17243735D-01 0.31577566D-03 0.17683030D-01 0.31988189D-03 0.18133466D-01 0.32404151D-03 0.18595325D-01 0.32825522D-03 0.19068893D-01 0.33252373D-03 0.19554466D-01 0.33684774D-03 0.20052345D-01 0.34122798D-03 0.20562841D-01 0.34566517D-03 0.21086271D-01 0.35016007D-03 0.21622960D-01 0.35471342D-03 0.22173241D-01 0.35932598D-03 0.22737456D-01 0.36399851D-03 0.23315954D-01 0.36873181D-03 0.23909096D-01 0.37352666D-03 0.24517249D-01 0.37838386D-03 0.25140788D-01 0.38330421D-03 0.25780102D-01 0.38828856D-03 0.26435584D-01 0.39333771D-03 0.27107641D-01 0.39845252D-03 0.27796689D-01 0.40363385D-03 0.28503153D-01 0.40888255D-03 0.29227469D-01 0.41419950D-03 0.29970085D-01 0.41958559D-03 0.30731459D-01 0.42504172D-03 0.31512060D-01 0.43056880D-03 0.32312370D-01 0.43616775D-03 0.33132882D-01 0.44183951D-03 0.33974100D-01 0.44758502D-03 0.34836542D-01 0.45340525D-03 0.35720739D-01 0.45930116D-03 0.36627234D-01 0.46527373D-03 0.37556583D-01 0.47132398D-03 0.38509357D-01 0.47745289D-03 0.39486140D-01 0.48366151D-03 0.40487531D-01 0.48995086D-03 0.41514144D-01 0.49632199D-03 0.42566607D-01 0.50277597D-03 0.43645564D-01 0.50931388D-03 0.44751674D-01 0.51593680D-03 0.45885614D-01 0.52264584D-03 0.47048074D-01 0.52944213D-03 0.48239766D-01 0.53632679D-03 0.49461415D-01 0.54330098D-03 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-.345E+00 -.340E+00 -.336E+00 -.332E+00 -.327E+00 -.323E+00 -.319E+00 -.315E+00 -.311E+00 -.307E+00 -.303E+00 -.299E+00 -.296E+00 -.292E+00 -.288E+00 -.284E+00 -.281E+00 -.277E+00 -.274E+00 -.270E+00 -.267E+00 -.264E+00 -.260E+00 -.257E+00 -.254E+00 -.250E+00 -.247E+00 -.244E+00 -.241E+00 -.238E+00 -.235E+00 -.232E+00 -.229E+00 1 Se ITER DVMAX R VN-1 VN DEMAX DPMAX PN-1 PN eigenwert von 1 Zustand -459.012566348434 eigenwert von 2 Zustand -58.6454635768960 eigenwert von 3 Zustand -52.5692455585198 eigenwert von 4 Zustand -51.0345569624932 eigenwert von 5 Zustand -7.45217437373642 eigenwert von 6 Zustand -5.37452656160243 eigenwert von 7 Zustand -5.15875324908604 1 1.53E+01 7.895837E-01 -6.207606E+00 -2.150786E+01 8.39E-01 -1.00E+00 0.000000E+00 1.004249E+00 NOMBRE D ITERATIONS SUPERIEUR A 1 1 Se RADII AND CHARGE DENS. ALTERNATELY 0.10000000D-03 0.49149952D-02 0.10128472D-03 0.50376239D-02 0.10258595D-03 0.51633062D-02 0.10390390D-03 0.52921180D-02 0.10523878D-03 0.54241370D-02 0.10659081D-03 0.55594428D-02 0.10796021D-03 0.56981170D-02 0.10934720D-03 0.58402431D-02 0.11075201D-03 0.59859069D-02 0.11217487D-03 0.61351960D-02 0.11361601D-03 0.62882005D-02 0.11507566D-03 0.64450124D-02 0.11655406D-03 0.66057263D-02 0.11805146D-03 0.67704388D-02 0.11956810D-03 0.69392491D-02 0.12110422D-03 0.71122589D-02 0.12266008D-03 0.72895722D-02 0.12423592D-03 0.74712957D-02 0.12583201D-03 0.76575386D-02 0.12744860D-03 0.78484131D-02 0.12908597D-03 0.80440337D-02 0.13074437D-03 0.82445182D-02 0.13242407D-03 0.84499869D-02 0.13412536D-03 0.86605634D-02 0.13584850D-03 0.88763741D-02 0.13759378D-03 0.90975485D-02 0.13936148D-03 0.93242195D-02 0.14115189D-03 0.95565232D-02 0.14296530D-03 0.97945988D-02 0.14480201D-03 0.10038589D-01 0.14666232D-03 0.10288641D-01 0.14854653D-03 0.10544904D-01 0.15045494D-03 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0.33032114D-03 0.24592908D+01 0.27039100D-03 0.24908859D+01 0.22078405D-03 0.25228869D+01 0.17982523D-03 0.25552990D+01 0.14609296D-03 0.25881276D+01 0.11838387D-03 0.26213779D+01 0.95681952D-04 0.26550554D+01 0.77131644D-04 0.26891656D+01 0.62014395D-04 0.27237139D+01 0.49728356D-04 0.27587062D+01 0.39770806D-04 0.27941479D+01 0.31722981D-04 0.28300450D+01 0.25237033D-04 0.28664033D+01 0.20024840D-04 0.29032287D+01 0.15848439D-04 0.29405272D+01 0.12511867D-04 0.29783049D+01 0.98542257D-05 0.30165679D+01 0.77437940D-05 0.30553225D+01 0.60731161D-05 0.30945750D+01 0.47546502D-05 0.31343318D+01 0.37177340D-05 0.31745993D+01 0.29039889D-05 0.32153842D+01 0.22723845D-05 0.32566930D+01 0.17689340D-05 0.32985325D+01 0.13991859D-05 0.33409096D+01 0.10760472D-05 0.33838311D+01 0.81509274D-06 0.34273040D+01 0.61525588D-06 0.34713354D+01 0.46276174D-06 0.35159325D+01 0.34681005D-06 ENERGIE (R4) (R2) (R) (R-1) (R-3) 2 1 > COR 0.1417960E+01 0.0000000E+00 0.0000000E+00 -0.1417960E+01 1S -4.5901257E+02 1.7630868E-05 2.6161267E-03 4.4080164E-02 3.4563055E+01 2S -5.8645464E+01 3.5434848E-03 4.5213109E-02 1.9567453E-01 7.6849573E+00 2P* -5.2569246E+01 2.4546735E-03 3.4862186E-02 1.6850341E-01 7.6500633E+00 2P -5.1034557E+01 2.6430182E-03 3.6320795E-02 1.7229895E-01 7.4135791E+00 1.1772834E+03 3S -7.4521744E+00 2.3008492E-01 3.7941865E-01 5.7393178E-01 2.4989112E+00 3P* -5.3745266E+00 2.7146581E-01 3.9832154E-01 5.8247848E-01 2.3779050E+00 3P -5.1587532E+00 2.9151188E-01 4.1275462E-01 5.9303675E-01 2.3212218E+00 1.6698774E+02 0 ET=-1.9097029E+03 EC= 2.6612912E+03 EE= 5.3941732E+02 EX=-6.1786818E+01 EN=-5.0486246E+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