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-25.0847900576580 eigenwert von 5 Zustand -3.02783514666196 1 1.42E+01 6.209167E-01 -9.991200E+00 -2.414381E+01 8.39E-01 -1.00E+00 0.000000E+00 1.013387E+00 NOMBRE D ITERATIONS SUPERIEUR A 1 1 Fe RADII AND CHARGE DENS. 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0.42005217D-02 0.15316618D-03 0.43080037D-02 0.15515789D-03 0.44182299D-02 0.15717550D-03 0.45312703D-02 0.15921935D-03 0.46471964D-02 0.16128978D-03 0.47660815D-02 0.16338713D-03 0.48880011D-02 0.16551176D-03 0.50130322D-02 0.16766401D-03 0.51412541D-02 0.16984425D-03 0.52727478D-02 0.17205284D-03 0.54075965D-02 0.17429015D-03 0.55458855D-02 0.17655655D-03 0.56877023D-02 0.17885242D-03 0.58331365D-02 0.18117815D-03 0.59822800D-02 0.18353412D-03 0.61352272D-02 0.18592073D-03 0.62920745D-02 0.18833837D-03 0.64529212D-02 0.19078745D-03 0.66178686D-02 0.19326838D-03 0.67870211D-02 0.19578157D-03 0.69604853D-02 0.19832743D-03 0.71383706D-02 0.20090641D-03 0.73207894D-02 0.20351892D-03 0.75078565D-02 0.20616540D-03 0.76996901D-02 0.20884630D-03 0.78964109D-02 0.21156205D-03 0.80981430D-02 0.21431313D-03 0.83050135D-02 0.21709997D-03 0.85171525D-02 0.21992306D-03 0.87346937D-02 0.22278285D-03 0.89577741D-02 0.22567983D-03 0.91865339D-02 0.22861449D-03 0.94211171D-02 0.23158730D-03 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-.345E+00 -.340E+00 -.336E+00 -.332E+00 -.328E+00 -.324E+00 -.319E+00 -.315E+00 -.311E+00 -.307E+00 -.303E+00 -.300E+00 -.296E+00 -.292E+00 -.288E+00 -.285E+00 -.281E+00 -.278E+00 -.274E+00 -.271E+00 -.267E+00 -.264E+00 -.260E+00 -.257E+00 -.254E+00 -.251E+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 -459.014104105491 eigenwert von 2 Zustand -58.6469692764605 eigenwert von 3 Zustand -52.5707641757320 eigenwert von 4 Zustand -51.0360738242621 eigenwert von 5 Zustand -7.45336715569829 eigenwert von 6 Zustand -5.37571634715430 eigenwert von 7 Zustand -5.15993655668422 1 1.53E+01 7.895837E-01 -6.208634E+00 -2.150782E+01 8.39E-01 -1.00E+00 0.000000E+00 1.004239E+00 NOMBRE D ITERATIONS SUPERIEUR A 1 1 Se RADII AND CHARGE DENS. ALTERNATELY 0.10000000D-03 0.49149977D-02 0.10128472D-03 0.50376264D-02 0.10258595D-03 0.51633088D-02 0.10390390D-03 0.52921207D-02 0.10523878D-03 0.54241397D-02 0.10659081D-03 0.55594456D-02 0.10796021D-03 0.56981198D-02 0.10934720D-03 0.58402460D-02 0.11075201D-03 0.59859098D-02 0.11217487D-03 0.61351990D-02 0.11361601D-03 0.62882036D-02 0.11507566D-03 0.64450156D-02 0.11655406D-03 0.66057295D-02 0.11805146D-03 0.67704421D-02 0.11956810D-03 0.69392525D-02 0.12110422D-03 0.71122624D-02 0.12266008D-03 0.72895757D-02 0.12423592D-03 0.74712993D-02 0.12583201D-03 0.76575423D-02 0.12744860D-03 0.78484169D-02 0.12908597D-03 0.80440376D-02 0.13074437D-03 0.82445222D-02 0.13242407D-03 0.84499910D-02 0.13412536D-03 0.86605676D-02 0.13584850D-03 0.88763783D-02 0.13759378D-03 0.90975529D-02 0.13936148D-03 0.93242240D-02 0.14115189D-03 0.95565277D-02 0.14296530D-03 0.97946035D-02 0.14480201D-03 0.10038594D-01 0.14666232D-03 0.10288646D-01 0.14854653D-03 0.10544909D-01 0.15045494D-03 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0.33009909D-03 0.24592908D+01 0.27020435D-03 0.24908859D+01 0.22062758D-03 0.25228869D+01 0.17969443D-03 0.25552990D+01 0.14598391D-03 0.25881276D+01 0.11829321D-03 0.26213779D+01 0.95606796D-04 0.26550554D+01 0.77069513D-04 0.26891656D+01 0.61963174D-04 0.27237139D+01 0.49686249D-04 0.27587062D+01 0.39736288D-04 0.27941479D+01 0.31694763D-04 0.28300450D+01 0.25214028D-04 0.28664033D+01 0.20006136D-04 0.29032287D+01 0.15833272D-04 0.29405272D+01 0.12499598D-04 0.29783049D+01 0.98443262D-05 0.30165679D+01 0.77358235D-05 0.30553225D+01 0.60667112D-05 0.30945750D+01 0.47495117D-05 0.31343318D+01 0.37136160D-05 0.31745993D+01 0.29006918D-05 0.32153842D+01 0.22697391D-05 0.32566930D+01 0.17668220D-05 0.32985325D+01 0.13974721D-05 0.33409096D+01 0.10746955D-05 0.33838311D+01 0.81404302D-06 0.34273040D+01 0.61444382D-06 0.34713354D+01 0.46213594D-06 0.35159325D+01 0.34632966D-06 ENERGIE (R4) (R2) (R) (R-1) (R-3) 2 1 > COR 0.1425321E+01 0.0000000E+00 0.0000000E+00 -0.1425321E+01 1S -4.5901410E+02 1.7630869E-05 2.6161268E-03 4.4080165E-02 3.4563055E+01 2S -5.8646969E+01 3.5434702E-03 4.5213037E-02 1.9567439E-01 7.6849626E+00 2P* -5.2570764E+01 2.4546616E-03 3.4862122E-02 1.6850328E-01 7.6500675E+00 2P -5.1036074E+01 2.6430047E-03 3.6320725E-02 1.7229881E-01 7.4135834E+00 1.1772848E+03 3S -7.4533672E+00 2.3007364E-01 3.7941073E-01 5.7392611E-01 2.4989390E+00 3P* -5.3757163E+00 2.7144537E-01 3.9830923E-01 5.8247011E-01 2.3779392E+00 3P -5.1599366E+00 2.9148892E-01 4.1274134E-01 5.9302791E-01 2.3212562E+00 1.6699314E+02 0 ET=-1.9097304E+03 EC= 2.6612712E+03 EE= 5.3942017E+02 EX=-6.1787035E+01 EN=-5.0486347E+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