atomic number =   44
effective nuclear charge =   44
electron count =   40
net charge =    4
basis set = approximate basis set limit (UGBS)      
exchange correlation functional = PW91PW91            
cutoff radius (picometer) =  500
number of shells =  100
prepared by = Thomas A. Manz      
prepared date = July 2010           
magnetization =    4
density in atomic units:
0.76353297E+05
0.27633954E+03
0.66953903E+02
0.36905983E+02
0.16754677E+02
0.74758816E+01
0.35551767E+01
0.21365211E+01
0.16366581E+01
0.13357348E+01
0.10702947E+01
0.83992326E+00
0.63190466E+00
0.45946288E+00
0.33466318E+00
0.24138908E+00
0.17054935E+00
0.12118365E+00
0.86243361E-01
0.61139774E-01
0.43903518E-01
0.32080974E-01
0.23444386E-01
0.17257534E-01
0.12914874E-01
0.97404029E-02
0.74189617E-02
0.57347389E-02
0.44632442E-02
0.35130661E-02
0.28064239E-02
0.22432976E-02
0.18162463E-02
0.14807095E-02
0.12110693E-02
0.99481910E-03
0.81891357E-03
0.67626353E-03
0.56174665E-03
0.46755461E-03
0.38896504E-03
0.32513935E-03
0.27183659E-03
0.22815891E-03
0.19195896E-03
0.16086517E-03
0.13507916E-03
0.11425285E-03
0.96505872E-04
0.81542334E-04
0.68886649E-04
0.58236415E-04
0.49311122E-04
0.41839638E-04
0.35486737E-04
0.30136023E-04
0.25560370E-04
0.21710068E-04
0.18445309E-04
0.15674466E-04
0.13327050E-04
0.11346046E-04
0.96565373E-05
0.82114439E-05
0.69612688E-05
0.59187641E-05
0.50811418E-05
0.43816044E-05
0.37642224E-05
0.32397757E-05
0.27856399E-05
0.24019528E-05
0.20707398E-05
0.17817135E-05
0.15311808E-05
0.13163440E-05
0.11331841E-05
0.97037196E-06
0.83481740E-06
0.71856283E-06
0.61479074E-06
0.52878215E-06
0.45159712E-06
0.38706185E-06
0.33097871E-06
0.28274260E-06
0.24129167E-06
0.20687965E-06
0.17606149E-06
0.15031885E-06
0.12815090E-06
0.10944283E-06
0.93262059E-07
0.79302488E-07
0.67554545E-07
0.57676523E-07
0.49008285E-07
0.41646288E-07
0.36102449E-07
0.30713572E-07
